4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid

C23H22ClNO4S — CID 10411178

IUPAC4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H22ClNO4S/c24-20-13-15-21(16-14-20)30(28,29)25-23(18-6-2-1-3-7-18)19-11-9-17(10-12-19)5-4-8-22(26)27/h1-3,6-7,9-16,23,25H,4-5,8H2,(H,26,27)
InChIKeyRBGPTVOIORAALT-UHFFFAOYSA-N
MW443.95 g/mol
LogP4.82
Rot. Bonds9

About 4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid

4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid (PubChem CID 10411178) has the molecular formula C23H22ClNO4S and a molecular weight of 443.95 g/mol. Its IUPAC name is 4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid
PubChem CID10411178
Molecular FormulaC23H22ClNO4S
Molecular Weight443.95 g/mol
Exact Mass443.10
IUPAC Name4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H22ClNO4S/c24-20-13-15-21(16-14-20)30(28,29)25-23(18-6-2-1-3-7-18)19-11-9-17(10-12-19)5-4-8-22(26)27/h1-3,6-7,9-16,23,25H,4-5,8H2,(H,26,27)
InChIKeyRBGPTVOIORAALT-UHFFFAOYSA-N
XLogP4.82
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid?
The IUPAC name of 4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid (CID 10411178) is 4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid is O=C(O)CCCc1ccc(C(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid?
The InChIKey is RBGPTVOIORAALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4S/c24-20-13-15-21(16-14-20)30(28,29)25-23(18-6-2-1-3-7-18)19-11-9-17(10-12-19)5-4-8-22(26)27/h1-3,6-7,9-16,23,25H,4-5,8H2,(H,26,27).
What are the key properties of 4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid?
4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid has a molecular weight of 443.95 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(4-chlorophenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid is sourced from PubChem (CID 10411178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).