2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

C12H15ClF4N2O2S — CID 119974473

IUPAC2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCN1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H14F4N2O2S.ClH/c13-10-4-3-8(12(14,15)16)6-11(10)21(19,20)18-7-9-2-1-5-17-9;/h3-4,6,9,17-18H,1-2,5,7H2;1H
InChIKeyCTGNNHBMOFZBOI-UHFFFAOYSA-N
MW362.78 g/mol
LogP2.30
Rot. Bonds4

About 2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119974473) has the molecular formula C12H15ClF4N2O2S and a molecular weight of 362.78 g/mol. Its IUPAC name is 2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119974473
Molecular FormulaC12H15ClF4N2O2S
Molecular Weight362.78 g/mol
Exact Mass362.05
IUPAC Name2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCN1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H14F4N2O2S.ClH/c13-10-4-3-8(12(14,15)16)6-11(10)21(19,20)18-7-9-2-1-5-17-9;/h3-4,6,9,17-18H,1-2,5,7H2;1H
InChIKeyCTGNNHBMOFZBOI-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120708929
2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94479302
2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43344425
2-fluoro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540772
3-fluoro-N-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120708923
5-bromo-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974330
2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974119
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
2-fluoro-5-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794247
2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719849
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119968134

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119974473) is 2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NCC1CCCN1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is CTGNNHBMOFZBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O2S.ClH/c13-10-4-3-8(12(14,15)16)6-11(10)21(19,20)18-7-9-2-1-5-17-9;/h3-4,6,9,17-18H,1-2,5,7H2;1H.
What are the key properties of 2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 362.78 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119974473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).