4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide

C19H20ClN3O3S — CID 108908640

IUPAC4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
SMILESO=C(N/C=C/c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20ClN3O3S/c20-17-8-6-16(7-9-17)10-11-21-19(24)22-12-14-23(15-13-22)27(25,26)18-4-2-1-3-5-18/h1-11H,12-15H2,(H,21,24)/b11-10+
InChIKeyPHCOQURRRZAQAI-ZHACJKMWSA-N
MW405.91 g/mol
LogP3.03
Rot. Bonds4

About 4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide

4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide (PubChem CID 108908640) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
PubChem CID108908640
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
SMILESO=C(N/C=C/c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20ClN3O3S/c20-17-8-6-16(7-9-17)10-11-21-19(24)22-12-14-23(15-13-22)27(25,26)18-4-2-1-3-5-18/h1-11H,12-15H2,(H,21,24)/b11-10+
InChIKeyPHCOQURRRZAQAI-ZHACJKMWSA-N
XLogP3.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide
CID 108909745
4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908348
N-[(E)-2-(2-chlorophenyl)ethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108904919
4-(benzenesulfonyl)-N-(4-chloro-2-fluorophenyl)piperazine-1-carboxamide
CID 17249913
4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
CID 46673692
4-(benzenesulfonyl)-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]piperazine-1-carboxamide
CID 41200236
4-(benzenesulfonyl)-N-(4-chlorophenyl)piperazine-1-carbothioamide
CID 8743565
4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide
CID 108915653
1-[4-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]phenyl]-5-phenylpenta-1,4-dien-3-one
CID 175377895
N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide
CID 110811078
1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine
CID 126478456
4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide
CID 991664

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide (CID 108908640) is 4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide is O=C(N/C=C/c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide?
The InChIKey is PHCOQURRRZAQAI-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c20-17-8-6-16(7-9-17)10-11-21-19(24)22-12-14-23(15-13-22)27(25,26)18-4-2-1-3-5-18/h1-11H,12-15H2,(H,21,24)/b11-10+.
What are the key properties of 4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide has a molecular weight of 405.91 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide is sourced from PubChem (CID 108908640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).