3-amino-2-chloro-6-phenylbenzenesulfonamide

C12H11ClN2O2S — CID 141036235

IUPAC3-amino-2-chloro-6-phenylbenzenesulfonamide
SMILESNc1ccc(-c2ccccc2)c(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H11ClN2O2S/c13-11-10(14)7-6-9(12(11)18(15,16)17)8-4-2-1-3-5-8/h1-7H,14H2,(H2,15,16,17)
InChIKeyAQVWXCDGSBXNKI-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.24
Rot. Bonds2

About 3-amino-2-chloro-6-phenylbenzenesulfonamide

3-amino-2-chloro-6-phenylbenzenesulfonamide (PubChem CID 141036235) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-amino-2-chloro-6-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-chloro-6-phenylbenzenesulfonamide
PubChem CID141036235
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name3-amino-2-chloro-6-phenylbenzenesulfonamide
SMILESNc1ccc(-c2ccccc2)c(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H11ClN2O2S/c13-11-10(14)7-6-9(12(11)18(15,16)17)8-4-2-1-3-5-8/h1-7H,14H2,(H2,15,16,17)
InChIKeyAQVWXCDGSBXNKI-UHFFFAOYSA-N
XLogP2.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-phenylbenzenesulfonamide
CID 118598398
2-(bromomethyl)-6-phenylbenzenesulfonamide
CID 19783178
4-amino-6-phenylbenzene-1,3-disulfonamide
CID 21393685
3-phenyl-2-sulfamoylbenzamide;hydrochloride
CID 141093499
2,3,4-trimethyl-6-phenylbenzenesulfonamide
CID 175248725
2,3-dichloro-6-phenylaniline
CID 22267323
3-hydroxy-6-phenylbenzene-1,2-disulfonic acid
CID 21278689
3-phenylpyridine-2-sulfonamide
CID 22113912
2-bromo-6-phenylbenzenesulfonyl chloride
CID 22318135
azulene;sulfamide
CID 159505457
2-butyl-4-phenyl-3-sulfamoylbenzoic acid
CID 174756984
2-chloro-6-(2-chlorophenyl)benzenesulfonamide
CID 13116834

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-6-phenylbenzenesulfonamide?
The IUPAC name of 3-amino-2-chloro-6-phenylbenzenesulfonamide (CID 141036235) is 3-amino-2-chloro-6-phenylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2-chloro-6-phenylbenzenesulfonamide?
The canonical SMILES for 3-amino-2-chloro-6-phenylbenzenesulfonamide is Nc1ccc(-c2ccccc2)c(S(N)(=O)=O)c1Cl.
What is the InChIKey of 3-amino-2-chloro-6-phenylbenzenesulfonamide?
The InChIKey is AQVWXCDGSBXNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-11-10(14)7-6-9(12(11)18(15,16)17)8-4-2-1-3-5-8/h1-7H,14H2,(H2,15,16,17).
What are the key properties of 3-amino-2-chloro-6-phenylbenzenesulfonamide?
3-amino-2-chloro-6-phenylbenzenesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-6-phenylbenzenesulfonamide is sourced from PubChem (CID 141036235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).