N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide

C13H17F3N2O2S — CID 105360475

IUPACN-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide
SMILESNCc1ccc(NS(=O)(=O)C2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)11-7-9(8-17)5-6-12(11)18-21(19,20)10-3-1-2-4-10/h5-7,10,18H,1-4,8,17H2
InChIKeyBIXIJHZPGXSTPK-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.85
Rot. Bonds4

About N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide

N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide (PubChem CID 105360475) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide
PubChem CID105360475
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide
SMILESNCc1ccc(NS(=O)(=O)C2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)11-7-9(8-17)5-6-12(11)18-21(19,20)10-3-1-2-4-10/h5-7,10,18H,1-4,8,17H2
InChIKeyBIXIJHZPGXSTPK-UHFFFAOYSA-N
XLogP2.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-(sulfamoylamino)-2-(trifluoromethyl)benzene
CID 114958581
N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
CID 113460263
N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide
CID 104517140
[4-cyclopentylsulfonyl-2-(trifluoromethyl)phenyl]methanamine
CID 66927536
N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide
CID 82014016
4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline
CID 152566871
N-(2-amino-4-methylphenyl)cyclopentanesulfonamide
CID 105360548
1-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 61317348
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide
CID 162355625
3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide
CID 114447917
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide
CID 105361546
3-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153893

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide (CID 105360475) is N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide is NCc1ccc(NS(=O)(=O)C2CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide?
The InChIKey is BIXIJHZPGXSTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c14-13(15,16)11-7-9(8-17)5-6-12(11)18-21(19,20)10-3-1-2-4-10/h5-7,10,18H,1-4,8,17H2.
What are the key properties of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide?
N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide is sourced from PubChem (CID 105360475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).