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

C16H16ClNO4S — CID 19104271

IUPAC4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO4S/c17-13-6-10-15(11-7-13)23(21,22)18-14-8-4-12(5-9-14)2-1-3-16(19)20/h4-11,18H,1-3H2,(H,19,20)
InChIKeyMPPXCGRXUNGPFS-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.55
Rot. Bonds7

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

4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]butanoic acid (PubChem CID 19104271) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]butanoic acid
PubChem CID19104271
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO4S/c17-13-6-10-15(11-7-13)23(21,22)18-14-8-4-12(5-9-14)2-1-3-16(19)20/h4-11,18H,1-3H2,(H,19,20)
InChIKeyMPPXCGRXUNGPFS-UHFFFAOYSA-N
XLogP3.55
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.55
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]phenyl]butanoic acid?
The IUPAC name of 4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]butanoic acid (CID 19104271) is 4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]butanoic acid is O=C(O)CCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]butanoic acid?
The InChIKey is MPPXCGRXUNGPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c17-13-6-10-15(11-7-13)23(21,22)18-14-8-4-12(5-9-14)2-1-3-16(19)20/h4-11,18H,1-3H2,(H,19,20).
What are the key properties of 4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]butanoic acid?
4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]butanoic acid has a molecular weight of 353.83 g/mol, XLogP of 3.55, 7 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]phenyl]butanoic acid is sourced from PubChem (CID 19104271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).