N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide

C11H12ClF3N2O2S — CID 171678637

IUPACN-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
SMILESNCC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H12ClF3N2O2S/c12-8-5-7(11(13,14)15)1-2-9(8)20(18,19)17-10(6-16)3-4-10/h1-2,5,17H,3-4,6,16H2
InChIKeyDBHRODCNAIMIAR-UHFFFAOYSA-N
MW328.74 g/mol
LogP2.13
Rot. Bonds4

About N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide

N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 171678637) has the molecular formula C11H12ClF3N2O2S and a molecular weight of 328.74 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
PubChem CID171678637
Molecular FormulaC11H12ClF3N2O2S
Molecular Weight328.74 g/mol
Exact Mass328.03
IUPAC NameN-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
SMILESNCC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H12ClF3N2O2S/c12-8-5-7(11(13,14)15)1-2-9(8)20(18,19)17-10(6-16)3-4-10/h1-2,5,17H,3-4,6,16H2
InChIKeyDBHRODCNAIMIAR-UHFFFAOYSA-N
XLogP2.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.74
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119980929
N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980855
N-[1-(aminomethyl)cyclopentyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980813
N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide
CID 28971038
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 124682011
N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582373
N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide
CID 120710186
N-(4-amino-1,1-dioxothiolan-3-yl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 166333822
[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-methanidylazanium
CID 59280579
2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 107423180
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide
CID 120710188
2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3332822

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide (CID 171678637) is N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide is NCC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DBHRODCNAIMIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2S/c12-8-5-7(11(13,14)15)1-2-9(8)20(18,19)17-10(6-16)3-4-10/h1-2,5,17H,3-4,6,16H2.
What are the key properties of N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide?
N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 328.74 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 171678637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).