N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide

C26H26ClN3O3S — CID 46778433

IUPACN-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H26ClN3O3S/c27-24-20-22(13-14-25(24)28-34(32,33)23-11-5-2-6-12-23)26(31)30-18-16-29(17-19-30)15-7-10-21-8-3-1-4-9-21/h1-14,20,28H,15-19H2/b10-7+
InChIKeySNIICBRSQUDNPU-JXMROGBWSA-N
MW496.03 g/mol
LogP4.61
Rot. Bonds7

About N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide

N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 46778433) has the molecular formula C26H26ClN3O3S and a molecular weight of 496.03 g/mol. Its IUPAC name is N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID46778433
Molecular FormulaC26H26ClN3O3S
Molecular Weight496.03 g/mol
Exact Mass495.14
IUPAC NameN-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H26ClN3O3S/c27-24-20-22(13-14-25(24)28-34(32,33)23-11-5-2-6-12-23)26(31)30-18-16-29(17-19-30)15-7-10-21-8-3-1-4-9-21/h1-14,20,28H,15-19H2/b10-7+
InChIKeySNIICBRSQUDNPU-JXMROGBWSA-N
XLogP4.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.03
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
N-[2-chloro-4-(4-formylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 92683589
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
(3,4-dihydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 113199241
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 55491399
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 17200401
3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 134061815
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431
(E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide
CID 55349767
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide (CID 46778433) is N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide is O=C(c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is SNIICBRSQUDNPU-JXMROGBWSA-N. The full InChI is InChI=1S/C26H26ClN3O3S/c27-24-20-22(13-14-25(24)28-34(32,33)23-11-5-2-6-12-23)26(31)30-18-16-29(17-19-30)15-7-10-21-8-3-1-4-9-21/h1-14,20,28H,15-19H2/b10-7+.
What are the key properties of N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide?
N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 496.03 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 46778433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).