N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide

C11H14ClF3N2O2S — CID 119975438

IUPACN-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H14ClF3N2O2S/c1-10(2,6-16)17-20(18,19)9-7(11(13,14)15)4-3-5-8(9)12/h3-5,17H,6,16H2,1-2H3
InChIKeyWLYISJDNRXNAJK-UHFFFAOYSA-N
MW330.76 g/mol
LogP2.37
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide

N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 119975438) has the molecular formula C11H14ClF3N2O2S and a molecular weight of 330.76 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide
PubChem CID119975438
Molecular FormulaC11H14ClF3N2O2S
Molecular Weight330.76 g/mol
Exact Mass330.04
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H14ClF3N2O2S/c1-10(2,6-16)17-20(18,19)9-7(11(13,14)15)4-3-5-8(9)12/h3-5,17H,6,16H2,1-2H3
InChIKeyWLYISJDNRXNAJK-UHFFFAOYSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-chloro-6-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119981197
N-tert-butyl-2,6-dichlorobenzenesulfonamide
CID 3331531
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide
CID 120582330
N-tert-butyl-2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
CID 23448647
4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 62044183
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975578
[1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963733
N-[3-(aminomethyl)pentan-3-yl]-3-chloro-2-methylbenzenesulfonamide
CID 63887407
1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 71874703
N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271978

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide (CID 119975438) is N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide is CC(C)(CN)NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WLYISJDNRXNAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O2S/c1-10(2,6-16)17-20(18,19)9-7(11(13,14)15)4-3-5-8(9)12/h3-5,17H,6,16H2,1-2H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 330.76 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119975438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).