4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid

C24H30ClNO4S — CID 10790279

IUPAC4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(CC2CCCCC2)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H30ClNO4S/c25-21-13-15-22(16-14-21)31(29,30)26-23(17-19-5-2-1-3-6-19)20-11-9-18(10-12-20)7-4-8-24(27)28/h9-16,19,23,26H,1-8,17H2,(H,27,28)
InChIKeyJIHQYRGYGTWART-UHFFFAOYSA-N
MW464.03 g/mol
LogP5.74
Rot. Bonds10

About 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid

4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid (PubChem CID 10790279) has the molecular formula C24H30ClNO4S and a molecular weight of 464.03 g/mol. Its IUPAC name is 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid
PubChem CID10790279
Molecular FormulaC24H30ClNO4S
Molecular Weight464.03 g/mol
Exact Mass463.16
IUPAC Name4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(CC2CCCCC2)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H30ClNO4S/c25-21-13-15-22(16-14-21)31(29,30)26-23(17-19-5-2-1-3-6-19)20-11-9-18(10-12-20)7-4-8-24(27)28/h9-16,19,23,26H,1-8,17H2,(H,27,28)
InChIKeyJIHQYRGYGTWART-UHFFFAOYSA-N
XLogP5.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.03
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-cyclohexylpentyl]phenyl]butanoate
CID 10602029
4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-phenylhexyl]phenyl]butanoic acid
CID 23353783
4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid
CID 10837737
ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate
CID 23353743
methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-(4-hexylcyclohexyl)methyl]phenyl]butanoate
CID 23353773
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate
CID 23353815
ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate
CID 23353907
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-fluorohexyl]phenyl]butanoate
CID 67579791
8-[(4-chlorophenyl)sulfonylamino]-8-[4-(trifluoromethyl)phenyl]octanoic acid
CID 139616892
methyl 5-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-methylhexyl]phenyl]pentanoate
CID 23353761
3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid
CID 14536999
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid?
The IUPAC name of 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid (CID 10790279) is 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid is O=C(O)CCCc1ccc(C(CC2CCCCC2)NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid?
The InChIKey is JIHQYRGYGTWART-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClNO4S/c25-21-13-15-22(16-14-21)31(29,30)26-23(17-19-5-2-1-3-6-19)20-11-9-18(10-12-20)7-4-8-24(27)28/h9-16,19,23,26H,1-8,17H2,(H,27,28).
What are the key properties of 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid?
4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid has a molecular weight of 464.03 g/mol, XLogP of 5.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid is sourced from PubChem (CID 10790279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).