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

C11H15Cl2F3N2O2S — CID 119988016

IUPACN-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.Cl
InChIInChI=1S/C11H14ClF3N2O2S.ClH/c1-10(2,16)6-17-20(18,19)9-5-7(11(13,14)15)3-4-8(9)12;/h3-5,17H,6,16H2,1-2H3;1H
InChIKeyKHMROVOYIPRKGI-UHFFFAOYSA-N
MW367.22 g/mol
LogP2.80
Rot. Bonds4

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

N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119988016) has the molecular formula C11H15Cl2F3N2O2S and a molecular weight of 367.22 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119988016
Molecular FormulaC11H15Cl2F3N2O2S
Molecular Weight367.22 g/mol
Exact Mass366.02
IUPAC NameN-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.Cl
InChIInChI=1S/C11H14ClF3N2O2S.ClH/c1-10(2,16)6-17-20(18,19)9-5-7(11(13,14)15)3-4-8(9)12;/h3-5,17H,6,16H2,1-2H3;1H
InChIKeyKHMROVOYIPRKGI-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 3824070
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582799
N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 113465018
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 86989290
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119986603
2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 30366267
2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120721746
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 64557595
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78785998
tert-butyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 4984455

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119988016) is N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is CC(C)(N)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is KHMROVOYIPRKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O2S.ClH/c1-10(2,16)6-17-20(18,19)9-5-7(11(13,14)15)3-4-8(9)12;/h3-5,17H,6,16H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 367.22 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119988016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).