2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid

C14H18ClNO4S — CID 64701151

IUPAC2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C14H18ClNO4S/c15-11-5-4-6-12(9-11)21(19,20)16-14(10-13(17)18)7-2-1-3-8-14/h4-6,9,16H,1-3,7-8,10H2,(H,17,18)
InChIKeyPGMXXBHUMSCRKH-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.80
Rot. Bonds5

About 2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid

2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid (PubChem CID 64701151) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid
PubChem CID64701151
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C14H18ClNO4S/c15-11-5-4-6-12(9-11)21(19,20)16-14(10-13(17)18)7-2-1-3-8-14/h4-6,9,16H,1-3,7-8,10H2,(H,17,18)
InChIKeyPGMXXBHUMSCRKH-UHFFFAOYSA-N
XLogP2.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845498
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527752
2-[1-[[(3-chlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81163930
2-[1-[(4-iodophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64700171
3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62521842
2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844855
2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid
CID 166283599
2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844844
2-[1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671577
2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid
CID 166283600
2-chloro-5-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 62518568
2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845918

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid (CID 64701151) is 2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid is O=C(O)CC1(NS(=O)(=O)c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid?
The InChIKey is PGMXXBHUMSCRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c15-11-5-4-6-12(9-11)21(19,20)16-14(10-13(17)18)7-2-1-3-8-14/h4-6,9,16H,1-3,7-8,10H2,(H,17,18).
What are the key properties of 2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid?
2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid has a molecular weight of 331.82 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 64701151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).