2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid

C12H14ClNO4S — CID 62695961

IUPAC2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid
SMILESCc1ccc(Cl)cc1S(=O)(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H14ClNO4S/c1-7-2-5-9(13)6-10(7)19(17,18)14-11(12(15)16)8-3-4-8/h2,5-6,8,11,14H,3-4H2,1H3,(H,15,16)
InChIKeyORFAURAGFJDNNO-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.79
Rot. Bonds5

About 2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid

2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid (PubChem CID 62695961) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid
PubChem CID62695961
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid
SMILESCc1ccc(Cl)cc1S(=O)(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H14ClNO4S/c1-7-2-5-9(13)6-10(7)19(17,18)14-11(12(15)16)8-3-4-8/h2,5-6,8,11,14H,3-4H2,1H3,(H,15,16)
InChIKeyORFAURAGFJDNNO-UHFFFAOYSA-N
XLogP1.79
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid
CID 62695582
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62697684
2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695010
2-cyclopropyl-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetic acid
CID 62695957
3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid
CID 60715494
cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321490
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697159
3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 43401355
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
(2S)-2-[[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]propanoic acid
CID 992315
2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
CID 62695399
2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695392

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid (CID 62695961) is 2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid is Cc1ccc(Cl)cc1S(=O)(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid?
The InChIKey is ORFAURAGFJDNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c1-7-2-5-9(13)6-10(7)19(17,18)14-11(12(15)16)8-3-4-8/h2,5-6,8,11,14H,3-4H2,1H3,(H,15,16).
What are the key properties of 2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid?
2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid has a molecular weight of 303.77 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 2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62695961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).