N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C14H22ClF3N2O2S — CID 119991472

IUPACN-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)cc1C(F)(F)F.Cl
InChIInChI=1S/C14H21F3N2O2S.ClH/c1-10-5-6-11(7-12(10)14(15,16)17)22(20,21)19(4)9-13(2,3)8-18;/h5-7H,8-9,18H2,1-4H3;1H
InChIKeyKRJRHBQIRZCEMB-UHFFFAOYSA-N
MW374.86 g/mol
LogP3.04
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119991472) has the molecular formula C14H22ClF3N2O2S and a molecular weight of 374.86 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119991472
Molecular FormulaC14H22ClF3N2O2S
Molecular Weight374.86 g/mol
Exact Mass374.10
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)cc1C(F)(F)F.Cl
InChIInChI=1S/C14H21F3N2O2S.ClH/c1-10-5-6-11(7-12(10)14(15,16)17)22(20,21)19(4)9-13(2,3)8-18;/h5-7H,8-9,18H2,1-4H3;1H
InChIKeyKRJRHBQIRZCEMB-UHFFFAOYSA-N
XLogP3.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-fluoro-N,3,5-trimethylbenzenesulfonamide;hydrochloride
CID 119991563
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119991822
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 119991645
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119991436
N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119991890
N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 119991572
N-(3-amino-2,2-dimethylpropyl)-3,5-difluoro-N-methylbenzenesulfonamide
CID 79653372
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120712192
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 79645778
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 119991411

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119991472) is N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)cc1C(F)(F)F.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is KRJRHBQIRZCEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2S.ClH/c1-10-5-6-11(7-12(10)14(15,16)17)22(20,21)19(4)9-13(2,3)8-18;/h5-7H,8-9,18H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 374.86 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119991472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).