2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid

C13H18ClNO5S — CID 43619283

IUPAC2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1ccc(Cl)cc1OC)C(=O)O
InChIInChI=1S/C13H18ClNO5S/c1-4-7-13(2,12(16)17)15-21(18,19)11-6-5-9(14)8-10(11)20-3/h5-6,8,15H,4,7H2,1-3H3,(H,16,17)
InChIKeyJUBYGJLRJUAXHP-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.27
Rot. Bonds7

About 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid

2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid (PubChem CID 43619283) has the molecular formula C13H18ClNO5S and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid
PubChem CID43619283
Molecular FormulaC13H18ClNO5S
Molecular Weight335.81 g/mol
Exact Mass335.06
IUPAC Name2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1ccc(Cl)cc1OC)C(=O)O
InChIInChI=1S/C13H18ClNO5S/c1-4-7-13(2,12(16)17)15-21(18,19)11-6-5-9(14)8-10(11)20-3/h5-6,8,15H,4,7H2,1-3H3,(H,16,17)
InChIKeyJUBYGJLRJUAXHP-UHFFFAOYSA-N
XLogP2.27
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619191
2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619247
2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid
CID 60824677
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935815
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 54921408
(2S)-2-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 112733144
3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936690
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 43244846
methyl 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methylpentanoate
CID 43431070
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619270

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid (CID 43619283) is 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid is CCCC(C)(NS(=O)(=O)c1ccc(Cl)cc1OC)C(=O)O.
What is the InChIKey of 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid?
The InChIKey is JUBYGJLRJUAXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO5S/c1-4-7-13(2,12(16)17)15-21(18,19)11-6-5-9(14)8-10(11)20-3/h5-6,8,15H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid?
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid has a molecular weight of 335.81 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43619283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).