4-chloro-N-(3-methoxyphenyl)benzenesulfonamide

C13H12ClNO3S — CID 819759

IUPAC4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12ClNO3S/c1-18-12-4-2-3-11(9-12)15-19(16,17)13-7-5-10(14)6-8-13/h2-9,15H,1H3
InChIKeySHEBDTJYHPLAKD-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.15
Rot. Bonds4

About 4-chloro-N-(3-methoxyphenyl)benzenesulfonamide

4-chloro-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 819759) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID819759
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12ClNO3S/c1-18-12-4-2-3-11(9-12)15-19(16,17)13-7-5-10(14)6-8-13/h2-9,15H,1H3
InChIKeySHEBDTJYHPLAKD-UHFFFAOYSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-chloro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892649
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790
4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 79185383
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-methoxyphenyl)benzenesulfonamide (CID 819759) is 4-chloro-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is SHEBDTJYHPLAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-18-12-4-2-3-11(9-12)15-19(16,17)13-7-5-10(14)6-8-13/h2-9,15H,1H3.
What are the key properties of 4-chloro-N-(3-methoxyphenyl)benzenesulfonamide?
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 297.76 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 819759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).