3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid

C17H18ClNO5S — CID 14536999

IUPAC3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(C(O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO5S/c18-14-6-8-15(9-7-14)25(23,24)19-11-16(20)13-4-1-12(2-5-13)3-10-17(21)22/h1-2,4-9,16,19-20H,3,10-11H2,(H,21,22)
InChIKeyCXCIULLRTKPLAA-UHFFFAOYSA-N
MW383.85 g/mol
LogP2.37
Rot. Bonds8

About 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid

3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid (PubChem CID 14536999) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid
PubChem CID14536999
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(C(O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO5S/c18-14-6-8-15(9-7-14)25(23,24)19-11-16(20)13-4-1-12(2-5-13)3-10-17(21)22/h1-2,4-9,16,19-20H,3,10-11H2,(H,21,22)
InChIKeyCXCIULLRTKPLAA-UHFFFAOYSA-N
XLogP2.37
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
CID 110663517
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663555
3-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-imidazol-1-ylhexan-2-yl]phenyl]propanoic acid
CID 139688596
3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid
CID 102695591
4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 3691488
2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid
CID 14536982
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
CID 7516472
3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663554
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid (CID 14536999) is 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid is O=C(O)CCc1ccc(C(O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid?
The InChIKey is CXCIULLRTKPLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c18-14-6-8-15(9-7-14)25(23,24)19-11-16(20)13-4-1-12(2-5-13)3-10-17(21)22/h1-2,4-9,16,19-20H,3,10-11H2,(H,21,22).
What are the key properties of 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid?
3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid has a molecular weight of 383.85 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid is sourced from PubChem (CID 14536999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).