2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide

C14H15ClN2O2S — CID 103170975

IUPAC2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H15ClN2O2S/c1-9-3-4-10(2)14(13(9)16)20(18,19)17-12-7-5-11(15)6-8-12/h3-8,17H,16H2,1-2H3
InChIKeyRUYYULCWRZSUOB-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.34
Rot. Bonds3

About 2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide

2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 103170975) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide
PubChem CID103170975
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H15ClN2O2S/c1-9-3-4-10(2)14(13(9)16)20(18,19)17-12-7-5-11(15)6-8-12/h3-8,17H,16H2,1-2H3
InChIKeyRUYYULCWRZSUOB-UHFFFAOYSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.34
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-amino-N-(4-chloro-3-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171347
N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4644491
2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 103171310
2-amino-N-(2-chloro-5-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 107624506
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171459
2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171008
3-amino-N-(4-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 29276916
2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171069
2-amino-N-(3-fluoro-2-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171388
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide (CID 103170975) is 2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1N.
What is the InChIKey of 2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is RUYYULCWRZSUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-3-4-10(2)14(13(9)16)20(18,19)17-12-7-5-11(15)6-8-12/h3-8,17H,16H2,1-2H3.
What are the key properties of 2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide?
2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103170975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).