1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide

C14H16FN3O3S — CID 31836255

IUPAC1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)C2(C#N)CCCC2)ccc1F
InChIInChI=1S/C14H16FN3O3S/c1-22(20,21)18-12-8-10(4-5-11(12)15)17-13(19)14(9-16)6-2-3-7-14/h4-5,8,18H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyGWWSBJMUGYNMLY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.22
Rot. Bonds4

About 1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide

1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide (PubChem CID 31836255) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
PubChem CID31836255
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)C2(C#N)CCCC2)ccc1F
InChIInChI=1S/C14H16FN3O3S/c1-22(20,21)18-12-8-10(4-5-11(12)15)17-13(19)14(9-16)6-2-3-7-14/h4-5,8,18H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyGWWSBJMUGYNMLY-UHFFFAOYSA-N
XLogP2.22
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 104778651
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
2-[4-[(1-cyanocyclopentanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109738
1-cyano-N-(4-fluoro-3-nitrophenyl)cyclohexane-1-carboxamide
CID 60584373
N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619844
1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 63037709
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852910
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 51246758
1-cyano-N-(4-methyl-3-nitrophenyl)cyclohexane-1-carboxamide
CID 60584340

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide (CID 31836255) is 1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide is CS(=O)(=O)Nc1cc(NC(=O)C2(C#N)CCCC2)ccc1F.
What is the InChIKey of 1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide?
The InChIKey is GWWSBJMUGYNMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-22(20,21)18-12-8-10(4-5-11(12)15)17-13(19)14(9-16)6-2-3-7-14/h4-5,8,18H,2-3,6-7H2,1H3,(H,17,19).
What are the key properties of 1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide?
1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 31836255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).