3-amino-4-chloro-N-phenylbenzenesulfonamide

C12H11ClN2O2S — CID 2873180

IUPAC3-amino-4-chloro-N-phenylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C12H11ClN2O2S/c13-11-7-6-10(8-12(11)14)18(16,17)15-9-4-2-1-3-5-9/h1-8,15H,14H2
InChIKeyZXDUBUVCNBHUHO-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.72
Rot. Bonds3

About 3-amino-4-chloro-N-phenylbenzenesulfonamide

3-amino-4-chloro-N-phenylbenzenesulfonamide (PubChem CID 2873180) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-amino-4-chloro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-phenylbenzenesulfonamide
PubChem CID2873180
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name3-amino-4-chloro-N-phenylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C12H11ClN2O2S/c13-11-7-6-10(8-12(11)14)18(16,17)15-9-4-2-1-3-5-9/h1-8,15H,14H2
InChIKeyZXDUBUVCNBHUHO-UHFFFAOYSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.72
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

3-amino-4-chloro-N-(3-ethynylphenyl)benzenesulfonamide
CID 61111579
3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
CID 3018876
3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide
CID 66350781
3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 28992287
3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596352
3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide
CID 106759376
methyl 2-chloro-5-(phenylsulfamoyl)benzoate
CID 99702882
3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 18758681
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-phenylbenzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-phenylbenzenesulfonamide (CID 2873180) is 3-amino-4-chloro-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-phenylbenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-phenylbenzenesulfonamide?
The InChIKey is ZXDUBUVCNBHUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-11-7-6-10(8-12(11)14)18(16,17)15-9-4-2-1-3-5-9/h1-8,15H,14H2.
What are the key properties of 3-amino-4-chloro-N-phenylbenzenesulfonamide?
3-amino-4-chloro-N-phenylbenzenesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2873180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).