4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide

C20H17ClN2O3S — CID 139603403

IUPAC4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide
SMILESO=S(=O)(NC/C=C(\c1ccc(O)cc1)c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3S/c21-17-5-9-19(10-6-17)27(25,26)23-13-11-20(16-2-1-12-22-14-16)15-3-7-18(24)8-4-15/h1-12,14,23-24H,13H2/b20-11+
InChIKeyXBGPDEQRDQMNCV-RGVLZGJSSA-N
MW400.89 g/mol
LogP3.85
Rot. Bonds6

About 4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide

4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide (PubChem CID 139603403) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide
PubChem CID139603403
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide
SMILESO=S(=O)(NC/C=C(\c1ccc(O)cc1)c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3S/c21-17-5-9-19(10-6-17)27(25,26)23-13-11-20(16-2-1-12-22-14-16)15-3-7-18(24)8-4-15/h1-12,14,23-24H,13H2/b20-11+
InChIKeyXBGPDEQRDQMNCV-RGVLZGJSSA-N
XLogP3.85
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-3-pyridin-3-ylprop-2-enyl]benzoic acid
CID 10346995
8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid
CID 57268349
4-chloro-N-[2-[4-[(E)-N-hydroxy-C-pyridin-3-ylcarbonimidoyl]phenyl]ethyl]benzenesulfonamide
CID 10364563
6-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54460875
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
(Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 19099582
4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70661029
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide
CID 60589032
4-chloro-N-[5-(pyridine-3-carbonyl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 10364382
N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 10695579
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
CID 25041089

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide (CID 139603403) is 4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide is O=S(=O)(NC/C=C(\c1ccc(O)cc1)c1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide?
The InChIKey is XBGPDEQRDQMNCV-RGVLZGJSSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c21-17-5-9-19(10-6-17)27(25,26)23-13-11-20(16-2-1-12-22-14-16)15-3-7-18(24)8-4-15/h1-12,14,23-24H,13H2/b20-11+.
What are the key properties of 4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide?
4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide has a molecular weight of 400.89 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-3-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 139603403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).