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

C13H18FN3O3S — CID 66009570

IUPAC3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)C2CCC(N)C2)ccc1F
InChIInChI=1S/C13H18FN3O3S/c1-21(19,20)17-12-7-10(4-5-11(12)14)16-13(18)8-2-3-9(15)6-8/h4-5,7-9,17H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyOATYMAPCRBYDME-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.26
Rot. Bonds4

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

3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide (PubChem CID 66009570) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
PubChem CID66009570
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)C2CCC(N)C2)ccc1F
InChIInChI=1S/C13H18FN3O3S/c1-21(19,20)17-12-7-10(4-5-11(12)14)16-13(18)8-2-3-9(15)6-8/h4-5,7-9,17H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyOATYMAPCRBYDME-UHFFFAOYSA-N
XLogP1.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 66008946
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119709839
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036
(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 61178271
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide
CID 66010185
N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide
CID 79459138
(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119702945
N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378855

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide (CID 66009570) is 3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide is CS(=O)(=O)Nc1cc(NC(=O)C2CCC(N)C2)ccc1F.
What is the InChIKey of 3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide?
The InChIKey is OATYMAPCRBYDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-21(19,20)17-12-7-10(4-5-11(12)14)16-13(18)8-2-3-9(15)6-8/h4-5,7-9,17H,2-3,6,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66009570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).