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

C13H12ClNO3S — CID 889795

IUPAC3-chloro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C13H12ClNO3S/c1-18-12-7-5-11(6-8-12)15-19(16,17)13-4-2-3-10(14)9-13/h2-9,15H,1H3
InChIKeyPANHWXSRURVAHQ-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.15
Rot. Bonds4

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

3-chloro-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 889795) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 3-chloro-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID889795
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name3-chloro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C13H12ClNO3S/c1-18-12-7-5-11(6-8-12)15-19(16,17)13-4-2-3-10(14)9-13/h2-9,15H,1H3
InChIKeyPANHWXSRURVAHQ-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

Batabulin
CID 216324
4-Chloro-2'-methoxybenzenesulfonanilide
CID 310128
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
5-chloro-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 839358
N-(4-Methoxyphenyl)benzenesulfonamide
CID 345790
4-amino-N-(4-methoxyphenyl)benzene-1-sulfonamide
CID 578975
5-amino-N-(2-chlorophenyl)-2-methoxybenzene-1-sulfonamide
CID 3388857
4-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 306215
4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
CID 788027
3-Amino-N-(4-methoxyphenyl)benzenesulfonamide
CID 2756466
N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 341400
N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 770818

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-methoxyphenyl)benzenesulfonamide (CID 889795) is 3-chloro-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is PANHWXSRURVAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-18-12-7-5-11(6-8-12)15-19(16,17)13-4-2-3-10(14)9-13/h2-9,15H,1H3.
What are the key properties of 3-chloro-N-(4-methoxyphenyl)benzenesulfonamide?
3-chloro-N-(4-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 3-chloro-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 889795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).