3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide

C18H18FN3O2S — CID 133353643

IUPAC3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)ccc1NC1CCCC1c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2S/c19-14-6-4-12(5-7-14)16-2-1-3-18(16)22-17-9-8-15(25(21,23)24)10-13(17)11-20/h4-10,16,18,22H,1-3H2,(H2,21,23,24)
InChIKeyUMMYTMKNTZRSKK-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.09
Rot. Bonds4

About 3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide

3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide (PubChem CID 133353643) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide
PubChem CID133353643
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)ccc1NC1CCCC1c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2S/c19-14-6-4-12(5-7-14)16-2-1-3-18(16)22-17-9-8-15(25(21,23)24)10-13(17)11-20/h4-10,16,18,22H,1-3H2,(H2,21,23,24)
InChIKeyUMMYTMKNTZRSKK-UHFFFAOYSA-N
XLogP3.09
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-4-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]benzenesulfonamide
CID 99814121
3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
CID 133319384
3-cyano-4-[(3-fluorophenyl)methylamino]benzenesulfonamide
CID 133310631
5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 82015367
3-cyano-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]benzenesulfonamide
CID 133320890
3-cyano-4-[2-(2,4-difluorophenyl)ethylamino]benzenesulfonamide
CID 71871110
5-fluoro-2-[(2-methylsulfanylcyclohexyl)amino]benzonitrile
CID 103703350
2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide
CID 133353695
4-amino-3-cyanobenzenesulfonamide
CID 45080631
4-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-nitrobenzenesulfonamide
CID 11938968
N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
CID 82015241
4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43764911

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide?
The IUPAC name of 3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide (CID 133353643) is 3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide?
The canonical SMILES for 3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide is N#Cc1cc(S(N)(=O)=O)ccc1NC1CCCC1c1ccc(F)cc1.
What is the InChIKey of 3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide?
The InChIKey is UMMYTMKNTZRSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c19-14-6-4-12(5-7-14)16-2-1-3-18(16)22-17-9-8-15(25(21,23)24)10-13(17)11-20/h4-10,16,18,22H,1-3H2,(H2,21,23,24).
What are the key properties of 3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide?
3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide has a molecular weight of 359.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide is sourced from PubChem (CID 133353643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).