2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide

C20H19ClN2O2S — CID 173207449

IUPAC2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide
SMILESCCCc1cnc(-c2ccc(Cl)cc2)c(-c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C20H19ClN2O2S/c1-2-5-14-12-18(17-6-3-4-7-19(17)26(22,24)25)20(23-13-14)15-8-10-16(21)11-9-15/h3-4,6-13H,2,5H2,1H3,(H2,22,24,25)
InChIKeyQLVLTZTWAZIFDW-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.67
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide

2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide (PubChem CID 173207449) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide
PubChem CID173207449
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide
SMILESCCCc1cnc(-c2ccc(Cl)cc2)c(-c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C20H19ClN2O2S/c1-2-5-14-12-18(17-6-3-4-7-19(17)26(22,24)25)20(23-13-14)15-8-10-16(21)11-9-15/h3-4,6-13H,2,5H2,1H3,(H2,22,24,25)
InChIKeyQLVLTZTWAZIFDW-UHFFFAOYSA-N
XLogP4.67
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-chlorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 173207565
4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide
CID 22505630
3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide
CID 22505373
2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide
CID 67646311
2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide
CID 23227875
2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide
CID 173207543
2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 67594995
2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 173207014
tert-butyl N-(benzenesulfonyl)-N-[N'-[[5-(2-chlorophenyl)-6-(4-chlorophenyl)-3-pyridinyl]methyl]carbamimidoyl]carbamate
CID 138677928
3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 67648774
2-[2-[2-(3-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53345760
1-(benzenesulfonamido)-1-[[5,6-bis(4-chlorophenyl)-3-pyridinyl]methyl]urea
CID 138677887

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide (CID 173207449) is 2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide is CCCc1cnc(-c2ccc(Cl)cc2)c(-c2ccccc2S(N)(=O)=O)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide?
The InChIKey is QLVLTZTWAZIFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-2-5-14-12-18(17-6-3-4-7-19(17)26(22,24)25)20(23-13-14)15-8-10-16(21)11-9-15/h3-4,6-13H,2,5H2,1H3,(H2,22,24,25).
What are the key properties of 2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide?
2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide has a molecular weight of 386.90 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 173207449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).