[(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate

C22H18ClNO4S — CID 15407982

IUPAC[(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OC/C(=C\c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H18ClNO4S/c23-18-11-13-19(14-12-18)24-22(25)28-16-21(15-17-7-3-1-4-8-17)29(26,27)20-9-5-2-6-10-20/h1-15H,16H2,(H,24,25)/b21-15+
InChIKeyKIPUVZRQDDWQOR-RCCKNPSSSA-N
MW427.91 g/mol
LogP5.40
Rot. Bonds6

About [(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate

[(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate (PubChem CID 15407982) has the molecular formula C22H18ClNO4S and a molecular weight of 427.91 g/mol. Its IUPAC name is [(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate
PubChem CID15407982
Molecular FormulaC22H18ClNO4S
Molecular Weight427.91 g/mol
Exact Mass427.06
IUPAC Name[(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OC/C(=C\c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H18ClNO4S/c23-18-11-13-19(14-12-18)24-22(25)28-16-21(15-17-7-3-1-4-8-17)29(26,27)20-9-5-2-6-10-20/h1-15H,16H2,(H,24,25)/b21-15+
InChIKeyKIPUVZRQDDWQOR-RCCKNPSSSA-N
XLogP5.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.91
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminoethyl (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoate
CID 10520512
2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate
CID 24836409
2-(benzenesulfonyl)ethyl N-phenylcarbamate
CID 14081594
[2-(4-chloroanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 8574931
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563
benzamido N-(4-chlorophenyl)carbamate
CID 134110176
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
(2-anilino-2-oxoethyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2343081
2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
CID 9106578
2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline
CID 11509241
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate?
The IUPAC name of [(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate (CID 15407982) is [(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)OC/C(=C\c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate?
The InChIKey is KIPUVZRQDDWQOR-RCCKNPSSSA-N. The full InChI is InChI=1S/C22H18ClNO4S/c23-18-11-13-19(14-12-18)24-22(25)28-16-21(15-17-7-3-1-4-8-17)29(26,27)20-9-5-2-6-10-20/h1-15H,16H2,(H,24,25)/b21-15+.
What are the key properties of [(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate?
[(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate has a molecular weight of 427.91 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 15407982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).