N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide

C12H15FN2O3S — CID 113093375

IUPACN-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide
SMILESCS(=O)(=O)Nc1ccc(F)cc1NC(=O)C1CCC1
InChIInChI=1S/C12H15FN2O3S/c1-19(17,18)15-10-6-5-9(13)7-11(10)14-12(16)8-3-2-4-8/h5-8,15H,2-4H2,1H3,(H,14,16)
InChIKeyUHXNARAGRFPWII-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.94
Rot. Bonds4

About N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide

N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide (PubChem CID 113093375) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide
PubChem CID113093375
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC NameN-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide
SMILESCS(=O)(=O)Nc1ccc(F)cc1NC(=O)C1CCC1
InChIInChI=1S/C12H15FN2O3S/c1-19(17,18)15-10-6-5-9(13)7-11(10)14-12(16)8-3-2-4-8/h5-8,15H,2-4H2,1H3,(H,14,16)
InChIKeyUHXNARAGRFPWII-UHFFFAOYSA-N
XLogP1.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide
CID 113093316
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308
N-(2-acetamido-5-fluorophenyl)cyclohexanecarboxamide
CID 113092924
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977385
N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide
CID 90165072
N-[2-(dimethylamino)-5-fluorophenyl]cyclobutanecarboxamide
CID 113092522
N-[5-fluoro-2-(methanesulfonamido)phenyl]propanamide
CID 113093309
3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119775811
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 113092391
3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide (CID 113093375) is N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide is CS(=O)(=O)Nc1ccc(F)cc1NC(=O)C1CCC1.
What is the InChIKey of N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide?
The InChIKey is UHXNARAGRFPWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c1-19(17,18)15-10-6-5-9(13)7-11(10)14-12(16)8-3-2-4-8/h5-8,15H,2-4H2,1H3,(H,14,16).
What are the key properties of N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide?
N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 113093375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).