4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide

C14H22FN3O2S — CID 83114460

IUPAC4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide
SMILESCN(C)C1(CNc2ccc(S(N)(=O)=O)cc2F)CCCC1
InChIInChI=1S/C14H22FN3O2S/c1-18(2)14(7-3-4-8-14)10-17-13-6-5-11(9-12(13)15)21(16,19)20/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H2,16,19,20)
InChIKeyJCANJNLDCWEHGC-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.76
Rot. Bonds5

About 4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide

4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide (PubChem CID 83114460) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide
PubChem CID83114460
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide
SMILESCN(C)C1(CNc2ccc(S(N)(=O)=O)cc2F)CCCC1
InChIInChI=1S/C14H22FN3O2S/c1-18(2)14(7-3-4-8-14)10-17-13-6-5-11(9-12(13)15)21(16,19)20/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H2,16,19,20)
InChIKeyJCANJNLDCWEHGC-UHFFFAOYSA-N
XLogP1.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65110927
4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenecarbothioamide
CID 83121698
4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide
CID 55663677
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide
CID 106145750
2-amino-5-[[1-(dimethylamino)cyclopentyl]methylamino]-4-fluorobenzoic acid
CID 83112062
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine
CID 83116976
4-[(3-ethyl-2-hydroxypentyl)amino]-3-fluorobenzenesulfonamide
CID 106287531
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide
CID 115309057
4-[[1-(dimethylamino)cyclohexyl]methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 9181546

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide (CID 83114460) is 4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide is CN(C)C1(CNc2ccc(S(N)(=O)=O)cc2F)CCCC1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide?
The InChIKey is JCANJNLDCWEHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-18(2)14(7-3-4-8-14)10-17-13-6-5-11(9-12(13)15)21(16,19)20/h5-6,9,17H,3-4,7-8,10H2,1-2H3,(H2,16,19,20).
What are the key properties of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide?
4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 83114460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).