N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C15H20ClF3N2O2S — CID 68982941

IUPACN-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCCNC1
InChIInChI=1S/C15H19F3N2O2S.ClH/c16-15(17,18)11-3-1-5-14(9-11)23(21,22)20(12-6-7-12)13-4-2-8-19-10-13;/h1,3,5,9,12-13,19H,2,4,6-8,10H2;1H
InChIKeyUGDNIRJQUZIKFN-UHFFFAOYSA-N
MW384.85 g/mol
LogP3.03
Rot. Bonds4

About N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 68982941) has the molecular formula C15H20ClF3N2O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID68982941
Molecular FormulaC15H20ClF3N2O2S
Molecular Weight384.85 g/mol
Exact Mass384.09
IUPAC NameN-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCCNC1
InChIInChI=1S/C15H19F3N2O2S.ClH/c16-15(17,18)11-3-1-5-14(9-11)23(21,22)20(12-6-7-12)13-4-2-8-19-10-13;/h1,3,5,9,12-13,19H,2,4,6-8,10H2;1H
InChIKeyUGDNIRJQUZIKFN-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 68982941) is N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCCNC1.
What is the InChIKey of N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is UGDNIRJQUZIKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2S.ClH/c16-15(17,18)11-3-1-5-14(9-11)23(21,22)20(12-6-7-12)13-4-2-8-19-10-13;/h1,3,5,9,12-13,19H,2,4,6-8,10H2;1H.
What are the key properties of N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 384.85 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 68982941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).