Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-
Basic information
- CAS
22893-29-4- Standard SMILES
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Cl- InChIKey
CNBZFYQGTRTWSM-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O4S
- Average molar mass
- 306.77 g/mol
- Monoisotopic mass
- 306.0441058
Names & identifiers
- Preferred name
- Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-
- IUPAC
- 3-(butylamino)-4-chloro-5-sulfamoylbenzoic acid
- English name
- Benzoic acid,3-(aminosulfonyl)-5-(butylamino)-4-chloro-
- Molecular formula
- C11H15ClN2O4S
- Molecular weight
- 306.7658
Names & synonyms
3-(Butylamino)-4-chloro-5-sulfamoylbenzoic acid22893-29-4HH 562BRN 2761869N-Butyl-4-chloro-5-sulfamylmetanilic acidBenzoic acid, 3-(butylamino)-4-chloro-5-sulfamoyl-DTXSID10177434Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-RefChem:327152DTXCID7099925Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-(9CI)3-(Aminosulfonyl)-5-(butylamino)-4-chlorobenzoic acid
Show more names
Bumetanide Impurity 63
DB42UE9TTXSCHEMBL573193Benzoic acid, 3-(aminosulfonyl)-5-(butylamino)-4-chloro-Benzoic acid,3-(aminosulfonyl)-5-(butylamino)-4-chloro-Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)- (9CI)DB-135756
Database identifiers
- CAS
22893-29-4- PubChem CID
- 211318
- DTXSID
DTXSID10177434- UNII
- DB42UE9TTX
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 409
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…