N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide

C14H14ClNO4S — CID 770818

IUPACN-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C14H14ClNO4S/c1-19-11-4-6-12(7-5-11)21(17,18)16-13-9-10(15)3-8-14(13)20-2/h3-9,16H,1-2H3
InChIKeyATYQDOWOVFHSBG-UHFFFAOYSA-N
MW327.79 g/mol
LogP3.16
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide

N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide (PubChem CID 770818) has the molecular formula C14H14ClNO4S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
PubChem CID770818
Molecular FormulaC14H14ClNO4S
Molecular Weight327.79 g/mol
Exact Mass327.03
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C14H14ClNO4S/c1-19-11-4-6-12(7-5-11)21(17,18)16-13-9-10(15)3-8-14(13)20-2/h3-9,16H,1-2H3
InChIKeyATYQDOWOVFHSBG-UHFFFAOYSA-N
XLogP3.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide (CID 770818) is N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is ATYQDOWOVFHSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S/c1-19-11-4-6-12(7-5-11)21(17,18)16-13-9-10(15)3-8-14(13)20-2/h3-9,16H,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide?
N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 327.79 g/mol, XLogP of 3.16, 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-methoxyphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 770818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).