3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide

C15H16ClNO4S — CID 100511071

IUPAC3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1cccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C15H16ClNO4S/c1-17(11-5-4-6-12(9-11)20-2)22(18,19)13-7-8-15(21-3)14(16)10-13/h4-10H,1-3H3
InChIKeyZSHWSZRPGHDANY-UHFFFAOYSA-N
MW341.82 g/mol
LogP3.18
Rot. Bonds5

About 3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide

3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 100511071) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
PubChem CID100511071
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC Name3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1cccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C15H16ClNO4S/c1-17(11-5-4-6-12(9-11)20-2)22(18,19)13-7-8-15(21-3)14(16)10-13/h4-10H,1-3H3
InChIKeyZSHWSZRPGHDANY-UHFFFAOYSA-N
XLogP3.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
6-amino-5-chloro-N-(3-methoxyphenyl)-N-methylpyridine-3-sulfonamide
CID 64601866
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001
3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513954
3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 100514963
N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide
CID 99628913
N-(3-methoxyphenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62158204
1-methoxy-3-[methyl(sulfamoyl)amino]benzene
CID 112573732
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100788351
N-(3,4-dimethoxyphenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 94919629
5-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 99938718
3-chloro-4-fluoro-N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023293

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide (CID 100511071) is 3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide is COc1cccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is ZSHWSZRPGHDANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c1-17(11-5-4-6-12(9-11)20-2)22(18,19)13-7-8-15(21-3)14(16)10-13/h4-10H,1-3H3.
What are the key properties of 3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide?
3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 100511071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).