N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

C12H15Cl2F3N2O2S — CID 119986603

IUPACN-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1
InChIInChI=1S/C12H14ClF3N2O2S.ClH/c13-9-4-3-8(12(14,15)16)5-11(9)21(19,20)18-10(6-17)7-1-2-7;/h3-5,7,10,18H,1-2,6,17H2;1H
InChIKeyCYUAIOGXCQEUHP-UHFFFAOYSA-N
MW379.23 g/mol
LogP2.80
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119986603) has the molecular formula C12H15Cl2F3N2O2S and a molecular weight of 379.23 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119986603
Molecular FormulaC12H15Cl2F3N2O2S
Molecular Weight379.23 g/mol
Exact Mass378.02
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1
InChIInChI=1S/C12H14ClF3N2O2S.ClH/c13-9-4-3-8(12(14,15)16)5-11(9)21(19,20)18-10(6-17)7-1-2-7;/h3-5,7,10,18H,1-2,6,17H2;1H
InChIKeyCYUAIOGXCQEUHP-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780735
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119986989
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582799
N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900
2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3311116
N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120585169
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78785998
N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
CID 65188828
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43240869

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119986603) is N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is CYUAIOGXCQEUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S.ClH/c13-9-4-3-8(12(14,15)16)5-11(9)21(19,20)18-10(6-17)7-1-2-7;/h3-5,7,10,18H,1-2,6,17H2;1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 379.23 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119986603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).