2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid

C11H14ClNO4S — CID 2765052

IUPAC2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H14ClNO4S/c1-7(2)10(11(14)15)13-18(16,17)9-5-3-8(12)4-6-9/h3-7,10,13H,1-2H3,(H,14,15)
InChIKeyVZOJAOITKGOGKF-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.73
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid

2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 2765052) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
PubChem CID2765052
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H14ClNO4S/c1-7(2)10(11(14)15)13-18(16,17)9-5-3-8(12)4-6-9/h3-7,10,13H,1-2H3,(H,14,15)
InChIKeyVZOJAOITKGOGKF-UHFFFAOYSA-N
XLogP1.73
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-N-(4-chlorophenyl)-1-hydroxy-3-methylpentane-2-sulfonamido
CID 25263462
2-(3-Chlorobenzenesulfonamido)acetic acid
CID 2442124
N-(4-Chlorobenzene-1-sulfonyl)alanine
CID 362749
2-Benzenesulfonamido-3-methylbutanoic acid
CID 2731158
2-(4-Chlorobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid
CID 4339703
(2S)-N-(4-chlorophenyl)-3-ethyl-1-hydroxypentane-2-sulfonamido
CID 11779875
2-Benzenesulfonylamino-4-methyl-pentanoic acid
CID 3133133
2-(4-Chlorobenzenesulfonamido)acetic acid
CID 737466
2-(3,4-Dichlorobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid
CID 3865566
(2S)-2-amino-3-[(4-chlorophenyl)sulfonylamino]butanedioic acid
CID 134155673
6-{[(4-Chlorophenyl)sulfonyl]amino}hexanoic acid
CID 1965826
4-chloro-N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]benzenesulfonamide
CID 10039936

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (CID 2765052) is 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid is CC(C)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is VZOJAOITKGOGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-7(2)10(11(14)15)13-18(16,17)9-5-3-8(12)4-6-9/h3-7,10,13H,1-2H3,(H,14,15).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid?
2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 291.76 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 2765052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).