N-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide

C17H16F2N2O2S — CID 141437580

IUPACN-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C17H16F2N2O2S/c18-14-9-15(19)11-16(10-14)21-24(22,23)17-3-1-12(2-4-17)13-5-7-20-8-6-13/h1-5,9-11,20-21H,6-8H2
InChIKeyHOOCIQMDSPWLBK-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.14
Rot. Bonds4

About N-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide

N-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide (PubChem CID 141437580) has the molecular formula C17H16F2N2O2S and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide
PubChem CID141437580
Molecular FormulaC17H16F2N2O2S
Molecular Weight350.39 g/mol
Exact Mass350.09
IUPAC NameN-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C17H16F2N2O2S/c18-14-9-15(19)11-16(10-14)21-24(22,23)17-3-1-12(2-4-17)13-5-7-20-8-6-13/h1-5,9-11,20-21H,6-8H2
InChIKeyHOOCIQMDSPWLBK-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide (CID 141437580) is N-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide is O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(C2=CCNCC2)cc1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide?
The InChIKey is HOOCIQMDSPWLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2S/c18-14-9-15(19)11-16(10-14)21-24(22,23)17-3-1-12(2-4-17)13-5-7-20-8-6-13/h1-5,9-11,20-21H,6-8H2.
What are the key properties of N-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide?
N-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide has a molecular weight of 350.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzenesulfonamide is sourced from PubChem (CID 141437580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).