3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid

C11H14ClNO4S — CID 43361690

IUPAC3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(C)CC(=O)O
InChIInChI=1S/C11H14ClNO4S/c1-7(6-11(14)15)13-18(16,17)10-5-3-4-9(12)8(10)2/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyFVNMBHVMORHGOG-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.79
Rot. Bonds5

About 3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid

3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid (PubChem CID 43361690) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid
PubChem CID43361690
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(C)CC(=O)O
InChIInChI=1S/C11H14ClNO4S/c1-7(6-11(14)15)13-18(16,17)10-5-3-4-9(12)8(10)2/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyFVNMBHVMORHGOG-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010898
2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 43361242
3-[(2-chloro-4-methylphenyl)sulfonylamino]butanoic acid
CID 43242416
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635
(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906681
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43240869
N-[2-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 39621833
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915
2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
CID 71628754
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid?
The IUPAC name of 3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid (CID 43361690) is 3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid is Cc1c(Cl)cccc1S(=O)(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid?
The InChIKey is FVNMBHVMORHGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-7(6-11(14)15)13-18(16,17)10-5-3-4-9(12)8(10)2/h3-5,7,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid?
3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid has a molecular weight of 291.76 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 43361690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).