N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C13H18ClF3N2O2S — CID 119978705

IUPACN,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)C2CCNC2)cc1C(F)(F)F.Cl
InChIInChI=1S/C13H17F3N2O2S.ClH/c1-9-3-4-11(7-12(9)13(14,15)16)21(19,20)18(2)10-5-6-17-8-10;/h3-4,7,10,17H,5-6,8H2,1-2H3;1H
InChIKeyCDBWSCPVVYHDMG-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.42
Rot. Bonds3

About N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119978705) has the molecular formula C13H18ClF3N2O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119978705
Molecular FormulaC13H18ClF3N2O2S
Molecular Weight358.81 g/mol
Exact Mass358.07
IUPAC NameN,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)C2CCNC2)cc1C(F)(F)F.Cl
InChIInChI=1S/C13H17F3N2O2S.ClH/c1-9-3-4-11(7-12(9)13(14,15)16)21(19,20)18(2)10-5-6-17-8-10;/h3-4,7,10,17H,5-6,8H2,1-2H3;1H
InChIKeyCDBWSCPVVYHDMG-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
N,3-dimethyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119979065
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119966060
N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 44592154
6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride
CID 120709882
N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978596
N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119978923
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
4-bromo-N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 119979113
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120875073

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119978705) is N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)N(C)C2CCNC2)cc1C(F)(F)F.Cl.
What is the InChIKey of N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is CDBWSCPVVYHDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S.ClH/c1-9-3-4-11(7-12(9)13(14,15)16)21(19,20)18(2)10-5-6-17-8-10;/h3-4,7,10,17H,5-6,8H2,1-2H3;1H.
What are the key properties of N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 358.81 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119978705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).