4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide

C13H20FN3O2S — CID 106738233

IUPAC4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide
SMILESNCC(Nc1ccc(S(N)(=O)=O)cc1F)C1CCCC1
InChIInChI=1S/C13H20FN3O2S/c14-11-7-10(20(16,18)19)5-6-12(11)17-13(8-15)9-3-1-2-4-9/h5-7,9,13,17H,1-4,8,15H2,(H2,16,18,19)
InChIKeyDAQFIHQZHPRSNV-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.40
Rot. Bonds5

About 4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide

4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide (PubChem CID 106738233) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide
PubChem CID106738233
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide
SMILESNCC(Nc1ccc(S(N)(=O)=O)cc1F)C1CCCC1
InChIInChI=1S/C13H20FN3O2S/c14-11-7-10(20(16,18)19)5-6-12(11)17-13(8-15)9-3-1-2-4-9/h5-7,9,13,17H,1-4,8,15H2,(H2,16,18,19)
InChIKeyDAQFIHQZHPRSNV-UHFFFAOYSA-N
XLogP1.40
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107303892
3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide
CID 62407684
4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide
CID 136559017
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 64911459
1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
CID 103594245
1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377112
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide
CID 115309057
3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide
CID 106000014
2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide
CID 115309592
N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
CID 65385964
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide (CID 106738233) is 4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide is NCC(Nc1ccc(S(N)(=O)=O)cc1F)C1CCCC1.
What is the InChIKey of 4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide?
The InChIKey is DAQFIHQZHPRSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c14-11-7-10(20(16,18)19)5-6-12(11)17-13(8-15)9-3-1-2-4-9/h5-7,9,13,17H,1-4,8,15H2,(H2,16,18,19).
What are the key properties of 4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide?
4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 106738233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).