5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide

C15H16ClNO3S — CID 39845488

IUPAC5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C15H16ClNO3S/c1-10-4-6-13(11(2)8-10)17-21(18,19)15-9-12(16)5-7-14(15)20-3/h4-9,17H,1-3H3
InChIKeyNXGCTGWCSGJYCF-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.77
Rot. Bonds4

About 5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide

5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 39845488) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
PubChem CID39845488
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C15H16ClNO3S/c1-10-4-6-13(11(2)8-10)17-21(18,19)15-9-12(16)5-7-14(15)20-3/h4-9,17H,1-3H3
InChIKeyNXGCTGWCSGJYCF-UHFFFAOYSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide
CID 110300241
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
5-chloro-2-methoxy-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 20962012
5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133201694
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 55603621
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
CID 70601990
CID 70601990
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 155555207

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide (CID 39845488) is 5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is NXGCTGWCSGJYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-10-4-6-13(11(2)8-10)17-21(18,19)15-9-12(16)5-7-14(15)20-3/h4-9,17H,1-3H3.
What are the key properties of 5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide?
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 39845488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).