2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

C13H16N2O5S — CID 120974718

IUPAC2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C13H16N2O5S/c1-21(19,20)15-11-5-3-2-4-10(11)14-12(16)8-6-7-9(8)13(17)18/h2-5,8-9,15H,6-7H2,1H3,(H,14,16)(H,17,18)
InChIKeySDYVYLGNAXHHPE-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.11
Rot. Bonds5

About 2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974718) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974718
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C13H16N2O5S/c1-21(19,20)15-11-5-3-2-4-10(11)14-12(16)8-6-7-9(8)13(17)18/h2-5,8-9,15H,6-7H2,1H3,(H,14,16)(H,17,18)
InChIKeySDYVYLGNAXHHPE-UHFFFAOYSA-N
XLogP1.11
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977385
2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974815
N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide
CID 113093430
2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119186489
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2884537
2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974434
2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61403717
trans-(1S,2S)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077
2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688945
2-(cyclopropylamino)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 54924233

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120974718) is 2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is CS(=O)(=O)Nc1ccccc1NC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is SDYVYLGNAXHHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-21(19,20)15-11-5-3-2-4-10(11)14-12(16)8-6-7-9(8)13(17)18/h2-5,8-9,15H,6-7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).