N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide

C15H16ClNO4S — CID 22775089

IUPACN-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(OC)c1
InChIInChI=1S/C15H16ClNO4S/c1-10-4-5-11(16)8-13(10)17-22(18,19)15-7-6-12(20-2)9-14(15)21-3/h4-9,17H,1-3H3
InChIKeyHSRRHSWKWRAHMB-UHFFFAOYSA-N
MW341.82 g/mol
LogP3.47
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide

N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 22775089) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID22775089
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC NameN-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(OC)c1
InChIInChI=1S/C15H16ClNO4S/c1-10-4-5-11(16)8-13(10)17-22(18,19)15-7-6-12(20-2)9-14(15)21-3/h4-9,17H,1-3H3
InChIKeyHSRRHSWKWRAHMB-UHFFFAOYSA-N
XLogP3.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380
N-(4-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821777
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773975
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid
CID 71845669

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide (CID 22775089) is N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(OC)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is HSRRHSWKWRAHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c1-10-4-5-11(16)8-13(10)17-22(18,19)15-7-6-12(20-2)9-14(15)21-3/h4-9,17H,1-3H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide?
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22775089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).