5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide

C18H20ClNO4S — CID 141027231

IUPAC5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide
SMILESCc1cccc(Cl)c1Oc1ccc(O)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C18H20ClNO4S/c1-12-5-4-8-15(19)18(12)24-14-9-10-16(21)17(11-14)25(22,23)20-13-6-2-3-7-13/h4-5,8-11,13,20-21H,2-3,6-7H2,1H3
InChIKeyCKQUMOFTHQECTF-UHFFFAOYSA-N
MW381.88 g/mol
LogP4.37
Rot. Bonds5

About 5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide

5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide (PubChem CID 141027231) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide
PubChem CID141027231
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide
SMILESCc1cccc(Cl)c1Oc1ccc(O)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C18H20ClNO4S/c1-12-5-4-8-15(19)18(12)24-14-9-10-16(21)17(11-14)25(22,23)20-13-6-2-3-7-13/h4-5,8-11,13,20-21H,2-3,6-7H2,1H3
InChIKeyCKQUMOFTHQECTF-UHFFFAOYSA-N
XLogP4.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dichloro-4-[3-(cyclobutylsulfamoyl)-4-hydroxyphenoxy]anilino]-2-oxoacetic acid
CID 18614233
3-[3,5-dichloro-4-[3-(cyclohexylsulfamoyl)-4-hydroxyphenoxy]anilino]-3-oxopropanoic acid
CID 22344955
ethyl 2-[4-[3-(cyclohexylsulfamoyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 54037129
N-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide
CID 24785046
5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-(6-methylspiro[3.3]heptan-2-yl)benzenesulfonamide
CID 161337015
2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide
CID 68871797
5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 22339422
N-[3-[[5-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-2-hydroxyphenyl]sulfonylamino]cyclobutyl]cyclopropanecarboxamide
CID 160911071
methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol
CID 10227534
N-[4-(3-cyclopentylsulfonyl-4-hydroxyphenoxy)-3,5-dimethylphenyl]-2-methylpropanamide
CID 141041179

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide?
The IUPAC name of 5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide (CID 141027231) is 5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide?
The canonical SMILES for 5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide is Cc1cccc(Cl)c1Oc1ccc(O)c(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide?
The InChIKey is CKQUMOFTHQECTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-12-5-4-8-15(19)18(12)24-14-9-10-16(21)17(11-14)25(22,23)20-13-6-2-3-7-13/h4-5,8-11,13,20-21H,2-3,6-7H2,1H3.
What are the key properties of 5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide?
5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide has a molecular weight of 381.88 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 141027231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).