N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide

C14H15ClN2O2S — CID 100828237

IUPACN-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cc(N)cc2Cl)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-9-3-5-12(6-4-9)20(18,19)17-14-10(2)7-11(16)8-13(14)15/h3-8,17H,16H2,1-2H3
InChIKeyFNIMGKDKXDSPQE-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.34
Rot. Bonds3

About N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide

N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 100828237) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID100828237
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cc(N)cc2Cl)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-9-3-5-12(6-4-9)20(18,19)17-14-10(2)7-11(16)8-13(14)15/h3-8,17H,16H2,1-2H3
InChIKeyFNIMGKDKXDSPQE-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

N-(4-amino-2-bromo-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828238
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 3637630
N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide
CID 169369916
N-(2,4-dibromo-6-chloro-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 169371289
4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide
CID 43257455
N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370068
4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 4600723
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 154116632
N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide
CID 169369950
3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 43256286

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide (CID 100828237) is N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)cc(N)cc2Cl)cc1.
What is the InChIKey of N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is FNIMGKDKXDSPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-3-5-12(6-4-9)20(18,19)17-14-10(2)7-11(16)8-13(14)15/h3-8,17H,16H2,1-2H3.
What are the key properties of N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide?
N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide 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 N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 100828237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).