2-(5-amino-2-chloroanilino)benzenesulfonamide

C12H12ClN3O2S — CID 54903074

IUPAC2-(5-amino-2-chloroanilino)benzenesulfonamide
SMILESNc1ccc(Cl)c(Nc2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C12H12ClN3O2S/c13-9-6-5-8(14)7-11(9)16-10-3-1-2-4-12(10)19(15,17)18/h1-7,16H,14H2,(H2,15,17,18)
InChIKeyQFPUQPZIRPGGAO-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.31
Rot. Bonds3

About 2-(5-amino-2-chloroanilino)benzenesulfonamide

2-(5-amino-2-chloroanilino)benzenesulfonamide (PubChem CID 54903074) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 2-(5-amino-2-chloroanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-(5-amino-2-chloroanilino)benzenesulfonamide
PubChem CID54903074
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name2-(5-amino-2-chloroanilino)benzenesulfonamide
SMILESNc1ccc(Cl)c(Nc2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C12H12ClN3O2S/c13-9-6-5-8(14)7-11(9)16-10-3-1-2-4-12(10)19(15,17)18/h1-7,16H,14H2,(H2,15,17,18)
InChIKeyQFPUQPZIRPGGAO-UHFFFAOYSA-N
XLogP2.31
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(2-chloroanilino)-2-methylbenzenesulfonamide
CID 79896206
5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide
CID 107643436
4-amino-2-chlorobenzenesulfonamide
CID 12533522
1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
CID 61131953
5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide
CID 107807019
2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide
CID 115992346
2-[2-(aminomethyl)anilino]benzenesulfonamide
CID 63761931
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
4-chloro-3-N-[4-(difluoromethylsulfonyl)phenyl]benzene-1,3-diamine
CID 61014087
4-chloro-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 61013625
2-amino-3-(2,6-dichloroanilino)benzenesulfonamide
CID 115992809

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chloroanilino)benzenesulfonamide?
The IUPAC name of 2-(5-amino-2-chloroanilino)benzenesulfonamide (CID 54903074) is 2-(5-amino-2-chloroanilino)benzenesulfonamide.
What is the SMILES notation for 2-(5-amino-2-chloroanilino)benzenesulfonamide?
The canonical SMILES for 2-(5-amino-2-chloroanilino)benzenesulfonamide is Nc1ccc(Cl)c(Nc2ccccc2S(N)(=O)=O)c1.
What is the InChIKey of 2-(5-amino-2-chloroanilino)benzenesulfonamide?
The InChIKey is QFPUQPZIRPGGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-9-6-5-8(14)7-11(9)16-10-3-1-2-4-12(10)19(15,17)18/h1-7,16H,14H2,(H2,15,17,18).
What are the key properties of 2-(5-amino-2-chloroanilino)benzenesulfonamide?
2-(5-amino-2-chloroanilino)benzenesulfonamide has a molecular weight of 297.77 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chloroanilino)benzenesulfonamide is sourced from PubChem (CID 54903074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).