Basic information
- CAS
150975-95-4- Standard SMILES
CS(=O)(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1- InChIKey
AHXMYKDPQPQFMW-UHFFFAOYSA-N- Molecular formula
- C10H10N2O4S
- Average molar mass
- 254.26 g/mol
- Monoisotopic mass
- 254.03612798
Names & identifiers
- Preferred name
- 5-Methylsulfonamido-indole-2-carboxylic acid
- IUPAC
- 5-(methanesulfonamido)-1H-indole-2-carboxylic acid
- English name
- 5-METHYLSULFONAMINOINDOLE-2-CARBOXYLIC ACID
- Molecular formula
- C10H10N2O4S
- Molecular weight
- 254.26
Names & synonyms
150975-95-45-Methylsulfonamido-indole-2-carboxylic acidUNII-T8EC5NG7Z5T8EC5NG7Z5DTXSID70164668RefChem:103217DTXCID00871595-Methylsulfonaminoindole-2-carboxylic acid5-(methanesulfonamido)-1H-indole-2-carboxylic acid5-(methylsulfonamido)-1H-indole-2-carboxylic acid1H-Indole-2-carboxylicacid, 5-[(methylsulfonyl)amino]-1H-Indole-2-carboxylic acid, 5-[(methylsulfonyl)amino]-
Show more names
5-METHANESULFONAMIDOINDOLE-2-CARBOXYLIC ACIDDelavirdine M105-Methylsulfonaminoindole-2-ca5-METHYL SULFONAMIDO INDOLE-2-CARBOXYLIC ACID
MFCD002363715-methanesulfonamido-1H-indole-2-carboxylic acid5-[(methylsulfonyl)amino]-1h-indole-2-carboxylic acidSCHEMBL8406457SCHEMBL8406458AHXMYKDPQPQFMW-UHFFFAOYSA-NAKOS015965530AC-20389
Database identifiers
- CAS
150975-95-4- PubChem CID
- 60948
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 564.6 · 564.6±53.0 °C(Predicted)
- Density
- 1.641 · 1.641±0.06 g/cm3(Predicted)
- pka
- 4.34 · 4.34±0.30(Predicted)
- CAS DataBase Reference
- 150975 · 150975-95-4(CAS DataBase Reference)
- FDA UNII
- 8 EC5NG7Z5 · T8EC5NG7Z5
Chemistry & industry
Applications
Uses5-Methylsulfonaminoindole-2-carboxylic Acid is a reagent used in the synthesis of bis(heteroaryl)piperazine (AAP-BHAP) as a class of non-nucleoside reverse transcriptase inhibitors (NNRTIs).
Suppliers7 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
青岛浩海安杰医药科技有限公司156-6622-8711 18639325623 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海依化化学有限公司021-6785342 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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