2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide

C15H17ClN2O2S — CID 29298955

IUPAC2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-5-12(16)8-14(9)18-21(19,20)15-7-11(3)10(2)6-13(15)17/h4-8,18H,17H2,1-3H3
InChIKeyCWKBNRMLOKWVLR-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.65
Rot. Bonds3

About 2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide

2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 29298955) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
PubChem CID29298955
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-5-12(16)8-14(9)18-21(19,20)15-7-11(3)10(2)6-13(15)17/h4-8,18H,17H2,1-3H3
InChIKeyCWKBNRMLOKWVLR-UHFFFAOYSA-N
XLogP3.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.65
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

5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43555520
3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28525479
2-amino-4,5-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329850
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
3-amino-4-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 115328687
2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 61108863
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
3-amino-N-(5-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256500
2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide (CID 29298955) is 2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide is Cc1cc(N)c(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C.
What is the InChIKey of 2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is CWKBNRMLOKWVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-9-4-5-12(16)8-14(9)18-21(19,20)15-7-11(3)10(2)6-13(15)17/h4-8,18H,17H2,1-3H3.
What are the key properties of 2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide?
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 29298955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).