2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide

C15H17ClN2O2S — CID 28549919

IUPAC2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-10(2)11-3-6-13(7-4-11)18-21(19,20)15-8-5-12(16)9-14(15)17/h3-10,18H,17H2,1-2H3
InChIKeyZYZMGMFPQSMLIZ-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.85
Rot. Bonds4

About 2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide

2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 28549919) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
PubChem CID28549919
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-10(2)11-3-6-13(7-4-11)18-21(19,20)15-8-5-12(16)9-14(15)17/h3-10,18H,17H2,1-2H3
InChIKeyZYZMGMFPQSMLIZ-UHFFFAOYSA-N
XLogP3.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.85
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

2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 28938069
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide
CID 114414759
2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866
2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150822
3-amino-2-bromo-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 62955301
2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405321
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 60986470

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide (CID 28549919) is 2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide is CC(C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2N)cc1.
What is the InChIKey of 2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is ZYZMGMFPQSMLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10(2)11-3-6-13(7-4-11)18-21(19,20)15-8-5-12(16)9-14(15)17/h3-10,18H,17H2,1-2H3.
What are the key properties of 2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide?
2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 28549919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).