4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide

C12H12ClN3O4S2 — CID 18758681

IUPAC4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C12H12ClN3O4S2/c13-11-7-10(5-6-12(11)14)22(19,20)16-8-1-3-9(4-2-8)21(15,17)18/h1-7,16H,14H2,(H2,15,17,18)
InChIKeyRBUAGOAZCLYMDO-UHFFFAOYSA-N
MW361.83 g/mol
LogP1.37
Rot. Bonds4

About 4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide

4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 18758681) has the molecular formula C12H12ClN3O4S2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID18758681
Molecular FormulaC12H12ClN3O4S2
Molecular Weight361.83 g/mol
Exact Mass361.00
IUPAC Name4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C12H12ClN3O4S2/c13-11-7-10(5-6-12(11)14)22(19,20)16-8-1-3-9(4-2-8)21(15,17)18/h1-7,16H,14H2,(H2,15,17,18)
InChIKeyRBUAGOAZCLYMDO-UHFFFAOYSA-N
XLogP1.37
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107618470
2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 5089316
4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 115329714
3-amino-4-chloro-N-phenylbenzenesulfonamide
CID 2873180
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
CID 115329618
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
CID 82861438
N-(4-amino-3-hydroxyphenyl)-4-chlorobenzenesulfonamide
CID 174644822
4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 43348560
3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
CID 43604435
2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride
CID 132988288
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 18758681) is 4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is RBUAGOAZCLYMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4S2/c13-11-7-10(5-6-12(11)14)22(19,20)16-8-1-3-9(4-2-8)21(15,17)18/h1-7,16H,14H2,(H2,15,17,18).
What are the key properties of 4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide?
4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 361.83 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 18758681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).