4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

C18H20ClNO3S — CID 11523464

IUPAC4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
SMILESCC(O)CN(C/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c1-15(21)14-20(13-5-8-16-6-3-2-4-7-16)24(22,23)18-11-9-17(19)10-12-18/h2-12,15,21H,13-14H2,1H3/b8-5+
InChIKeyUPLAVBYGPLPKDI-VMPITWQZSA-N
MW365.88 g/mol
LogP3.42
Rot. Bonds7

About 4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide (PubChem CID 11523464) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
PubChem CID11523464
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
SMILESCC(O)CN(C/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c1-15(21)14-20(13-5-8-16-6-3-2-4-7-16)24(22,23)18-11-9-17(19)10-12-18/h2-12,15,21H,13-14H2,1H3/b8-5+
InChIKeyUPLAVBYGPLPKDI-VMPITWQZSA-N
XLogP3.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 11632263
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 46188827
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-[(Z)-4-hydroxybut-2-enyl]-4-methylbenzenesulfonamide
CID 132961753
4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide
CID 101398637
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-N-[(E)-3-(3-methylphenyl)prop-2-enyl]benzenesulfonamide
CID 67369106
4-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzenesulfonamide
CID 7062742
2-phenylethenesulfonate;tris(4-chlorophenyl)-methylphosphanium
CID 88618335
4-chloro-N-(2-oxoazepan-3-yl)-N-(3-phenylprop-2-enyl)benzenesulfonamide
CID 69475560
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
ethyl 4-[(4-chlorophenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]piperidine-2-carboxylate
CID 67422965
1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene
CID 155934408
N-benzyl-4-chloro-N-(cyanomethyl)benzenesulfonamide
CID 51141061

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide (CID 11523464) is 4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide is CC(O)CN(C/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The InChIKey is UPLAVBYGPLPKDI-VMPITWQZSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-15(21)14-20(13-5-8-16-6-3-2-4-7-16)24(22,23)18-11-9-17(19)10-12-18/h2-12,15,21H,13-14H2,1H3/b8-5+.
What are the key properties of 4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide has a molecular weight of 365.88 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 11523464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).