3-Benzenesulfonyl-5-chloroindole-2-carboxamide
Basic information
- CAS
148472-83-7- Standard SMILES
NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1- InChIKey
KHJNUJLYIHQWQI-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O3S
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 334.01789089
Overview
effective against HIV-1 reverse transcriptase; structure in first source
Names & identifiers
- Preferred name
- 3-Benzenesulfonyl-5-chloroindole-2-carboxamide
- IUPAC
- 3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide
- English name
- 6-Chloro-(phenylsulfonyl)-1H-indole-3-carboxamide
- Molecular formula
- C15H11ClN2O3S
- Molecular weight
- 334.78
Names & synonyms
148472-83-73-Benzenesulfonyl-5-chloroindole-2-carboxamideL-737,126DTXSID50163992RefChem:911175DTXCID9086483L 737,126CSIC3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamideL-7371265-Chloro-3-(phenylsulfonyl)indole-2-carboxamideL 737126
Show more names
Aids005228Aids-0052286-Chloro-(phenylsulfonyl)-1H-indole-3-carboxamide6-CHLORO-1-(PHENYLSULFONYL)-1H-INDOLE-3-CARBOXAMIDE1H-Indole-2-carboxamide, 5-chloro-3-(phenylsulfonyl)-
5-chloro-3-phenylsulfonylindole-2-carboxamide5-chloro-3-(phenylsulfonyl)-1H-indole-2-carboxamideRS12025Cl3PhSO2-2IndolCONH2BDBM2278CHEMBL283950SCHEMBL2344264SCHEMBL31654105
Database identifiers
- CAS
148472-83-7- PubChem CID
- 454844
- DTXSID
DTXSID50163992- ChEMBL
CHEMBL283950- Nikkaji
- J548.739K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Melting point
- 254 · 254-255 °C
- Boiling point
- 636.24 · 636.240±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.516 · 1.516±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.827 · 11.827±0.30(predicted)
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Related reactions
4 records
Compound notes
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