2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

C13H15FN2O5S — CID 120977385

IUPAC2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)Nc1cc(F)ccc1NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C13H15FN2O5S/c1-22(20,21)16-11-6-7(14)2-5-10(11)15-12(17)8-3-4-9(8)13(18)19/h2,5-6,8-9,16H,3-4H2,1H3,(H,15,17)(H,18,19)
InChIKeyZBKYTMJMSLFQLY-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.25
Rot. Bonds5

About 2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977385) has the molecular formula C13H15FN2O5S and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977385
Molecular FormulaC13H15FN2O5S
Molecular Weight330.34 g/mol
Exact Mass330.07
IUPAC Name2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)Nc1cc(F)ccc1NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C13H15FN2O5S/c1-22(20,21)16-11-6-7(14)2-5-10(11)15-12(17)8-3-4-9(8)13(18)19/h2,5-6,8-9,16H,3-4H2,1H3,(H,15,17)(H,18,19)
InChIKeyZBKYTMJMSLFQLY-UHFFFAOYSA-N
XLogP1.25
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974718
N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide
CID 113093375
2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974815
2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119186489
N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide
CID 113093316
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
trans-(1R,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100103
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 71979004
3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434
2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60941976

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120977385) is 2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is CS(=O)(=O)Nc1cc(F)ccc1NC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZBKYTMJMSLFQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O5S/c1-22(20,21)16-11-6-7(14)2-5-10(11)15-12(17)8-3-4-9(8)13(18)19/h2,5-6,8-9,16H,3-4H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).