N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride

C11H14ClF5N2O2S — CID 120712963

IUPACN-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCC(F)(F)CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C11H13F5N2O2S.ClH/c12-10(13,6-17)7-18-21(19,20)9-3-1-8(2-4-9)5-11(14,15)16;/h1-4,18H,5-7,17H2;1H
InChIKeyHOPOBGHZDDCOTP-UHFFFAOYSA-N
MW368.76 g/mol
LogP2.09
Rot. Bonds6

About N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride

N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride (PubChem CID 120712963) has the molecular formula C11H14ClF5N2O2S and a molecular weight of 368.76 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
PubChem CID120712963
Molecular FormulaC11H14ClF5N2O2S
Molecular Weight368.76 g/mol
Exact Mass368.04
IUPAC NameN-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCC(F)(F)CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C11H13F5N2O2S.ClH/c12-10(13,6-17)7-18-21(19,20)9-3-1-8(2-4-9)5-11(14,15)16;/h1-4,18H,5-7,17H2;1H
InChIKeyHOPOBGHZDDCOTP-UHFFFAOYSA-N
XLogP2.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.76
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120709191
N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide
CID 114383933
N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide
CID 114383921
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
3-N-(3-amino-2,2-difluoropropyl)benzene-1,3-disulfonamide
CID 114384038
N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 120824445
N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide
CID 114384146
N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 114383991
N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120713011
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
CID 71579055

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride (CID 120712963) is N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride is Cl.NCC(F)(F)CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The InChIKey is HOPOBGHZDDCOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5N2O2S.ClH/c12-10(13,6-17)7-18-21(19,20)9-3-1-8(2-4-9)5-11(14,15)16;/h1-4,18H,5-7,17H2;1H.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride has a molecular weight of 368.76 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120712963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).