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

C18H20ClNO4S — CID 3749500

IUPAC4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1OC1CCCC1
InChIInChI=1S/C18H20ClNO4S/c1-23-17-11-8-14(12-18(17)24-15-4-2-3-5-15)20-25(21,22)16-9-6-13(19)7-10-16/h6-12,15,20H,2-5H2,1H3
InChIKeyGVACOCYZLXWNLZ-UHFFFAOYSA-N
MW381.88 g/mol
LogP4.47
Rot. Bonds6

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

4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide (PubChem CID 3749500) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide
PubChem CID3749500
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1OC1CCCC1
InChIInChI=1S/C18H20ClNO4S/c1-23-17-11-8-14(12-18(17)24-15-4-2-3-5-15)20-25(21,22)16-9-6-13(19)7-10-16/h6-12,15,20H,2-5H2,1H3
InChIKeyGVACOCYZLXWNLZ-UHFFFAOYSA-N
XLogP4.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide
CID 3850046
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 4647727
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55584033
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
N-[4-chloro-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 22185869
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
CID 31871992
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide (CID 3749500) is 4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1OC1CCCC1.
What is the InChIKey of 4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide?
The InChIKey is GVACOCYZLXWNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-23-17-11-8-14(12-18(17)24-15-4-2-3-5-15)20-25(21,22)16-9-6-13(19)7-10-16/h6-12,15,20H,2-5H2,1H3.
What are the key properties of 4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide?
4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide has a molecular weight of 381.88 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3749500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).