2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C12H13ClN2O5S — CID 60942174

IUPAC2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C12H13ClN2O5S/c1-21(19,20)15-6-2-3-9(13)10(4-6)14-11(16)7-5-8(7)12(17)18/h2-4,7-8,15H,5H2,1H3,(H,14,16)(H,17,18)
InChIKeyGHLLNSUYNQGQSP-UHFFFAOYSA-N
MW332.77 g/mol
LogP1.37
Rot. Bonds5

About 2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60942174) has the molecular formula C12H13ClN2O5S and a molecular weight of 332.77 g/mol. Its IUPAC name is 2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60942174
Molecular FormulaC12H13ClN2O5S
Molecular Weight332.77 g/mol
Exact Mass332.02
IUPAC Name2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C12H13ClN2O5S/c1-21(19,20)15-6-2-3-9(13)10(4-6)14-11(16)7-5-8(7)12(17)18/h2-4,7-8,15H,5H2,1H3,(H,14,16)(H,17,18)
InChIKeyGHLLNSUYNQGQSP-UHFFFAOYSA-N
XLogP1.37
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119180306
2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940520
2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465
4-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209278
cis-(1S,2R)-2-[(2-chloro-5-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092154
N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43706823
2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119186489
(3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide
CID 81118445
(E)-4-[2-chloro-5-(methanesulfonamido)anilino]-4-oxobut-2-enoic acid
CID 60942059
2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974815
5-[[(1R,2S)-2-carboxycyclopropanecarbonyl]amino]-2-chlorobenzoic acid
CID 93366698
(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 60942174) is 2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is CS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C2CC2C(=O)O)c1.
What is the InChIKey of 2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GHLLNSUYNQGQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O5S/c1-21(19,20)15-6-2-3-9(13)10(4-6)14-11(16)7-5-8(7)12(17)18/h2-4,7-8,15H,5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 332.77 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60942174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).