2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid

C11H14ClNO5S — CID 61244229

IUPAC2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)NC(CCO)C(=O)O
InChIInChI=1S/C11H14ClNO5S/c1-7-6-8(12)2-3-10(7)19(17,18)13-9(4-5-14)11(15)16/h2-3,6,9,13-14H,4-5H2,1H3,(H,15,16)
InChIKeyILPKOMMLQWMTPD-UHFFFAOYSA-N
MW307.76 g/mol
LogP0.76
Rot. Bonds6

About 2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid

2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 61244229) has the molecular formula C11H14ClNO5S and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID61244229
Molecular FormulaC11H14ClNO5S
Molecular Weight307.76 g/mol
Exact Mass307.03
IUPAC Name2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)NC(CCO)C(=O)O
InChIInChI=1S/C11H14ClNO5S/c1-7-6-8(12)2-3-10(7)19(17,18)13-9(4-5-14)11(15)16/h2-3,6,9,13-14H,4-5H2,1H3,(H,15,16)
InChIKeyILPKOMMLQWMTPD-UHFFFAOYSA-N
XLogP0.76
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43470023
5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 43172869
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
(2S)-2-[(2-chloro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935068
(2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933822
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244418
(2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831660
2-[(3,5-dimethylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244974
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 2121600
(2S)-2-[(4-acetamido-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 71387146
(2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
CID 104935094
4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
CID 61244228

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 61244229) is 2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid is Cc1cc(Cl)ccc1S(=O)(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is ILPKOMMLQWMTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-7-6-8(12)2-3-10(7)19(17,18)13-9(4-5-14)11(15)16/h2-3,6,9,13-14H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid?
2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 307.76 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61244229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).