N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide

C15H16ClNO5S — CID 1141973

IUPACN-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H16ClNO5S/c1-20-13-6-4-10(16)8-12(13)17-23(18,19)11-5-7-14(21-2)15(9-11)22-3/h4-9,17H,1-3H3
InChIKeyFCTLJAJEOWDORU-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.17
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide

N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 1141973) has the molecular formula C15H16ClNO5S and a molecular weight of 357.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID1141973
Molecular FormulaC15H16ClNO5S
Molecular Weight357.82 g/mol
Exact Mass357.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H16ClNO5S/c1-20-13-6-4-10(16)8-12(13)17-23(18,19)11-5-7-14(21-2)15(9-11)22-3/h4-9,17H,1-3H3
InChIKeyFCTLJAJEOWDORU-UHFFFAOYSA-N
XLogP3.17
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-2'-methoxybenzenesulfonanilide
CID 310128
5-chloro-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 839358
N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 770818
N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 3236356
3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 740560
4-chloro-N-(2-ethoxyphenyl)benzene-1-sulfonamide
CID 710432
N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 768965
N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
CID 768993
N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide
CID 2980565
N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 892823
N-(4-Chlorophenyl)-4-methoxybenzenesulfonamide
CID 598671
N-(5-chloro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 169422830

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide (CID 1141973) is N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is FCTLJAJEOWDORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO5S/c1-20-13-6-4-10(16)8-12(13)17-23(18,19)11-5-7-14(21-2)15(9-11)22-3/h4-9,17H,1-3H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide?
N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 357.82 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 1141973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).