2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid

C17H18ClNO5S — CID 68846027

IUPAC2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid
SMILESCCC(Cc1ccc(O)cc1)(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C17H18ClNO5S/c1-2-17(16(21)22,11-12-3-7-14(20)8-4-12)19-25(23,24)15-9-5-13(18)6-10-15/h3-10,19-20H,2,11H2,1H3,(H,21,22)
InChIKeyFDKZQZWXLFWUEG-UHFFFAOYSA-N
MW383.85 g/mol
LogP2.80
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid

2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid (PubChem CID 68846027) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid
PubChem CID68846027
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid
SMILESCCC(Cc1ccc(O)cc1)(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C17H18ClNO5S/c1-2-17(16(21)22,11-12-3-7-14(20)8-4-12)19-25(23,24)15-9-5-13(18)6-10-15/h3-10,19-20H,2,11H2,1H3,(H,21,22)
InChIKeyFDKZQZWXLFWUEG-UHFFFAOYSA-N
XLogP2.80
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-2-ethylbutanethioamide
CID 61124089
2-[(4-bromophenyl)sulfonylamino]-2-ethylbutanoic acid
CID 79806712
(2S)-2-[(3-chloro-2,5-dimethyl-3,4-dihydropyrazol-4-yl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 68842847
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
(2S)-2-[(4-hydroxyphenyl)methyl]-2-(pentan-2-ylamino)butanoic acid
CID 69495925
2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69495970
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-ethylbutanoic acid
CID 79814367
4-chloro-N-[3-(chloromethyl)pentan-3-yl]benzenesulfonamide
CID 65032275
(2S)-2-benzyl-2-[[4-(4-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylamino]butanoic acid
CID 143065461
(2S)-2-amino-2-[(4-chlorophenyl)methyl]butanoic acid
CID 70178443
2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 79792778
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28557055

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid (CID 68846027) is 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid is CCC(Cc1ccc(O)cc1)(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid?
The InChIKey is FDKZQZWXLFWUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-2-17(16(21)22,11-12-3-7-14(20)8-4-12)19-25(23,24)15-9-5-13(18)6-10-15/h3-10,19-20H,2,11H2,1H3,(H,21,22).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid?
2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid has a molecular weight of 383.85 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid is sourced from PubChem (CID 68846027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).