2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide

C22H21ClN4O3S — CID 24687022

IUPAC2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C22H21ClN4O3S/c23-21-7-6-19(16-20(21)22(28)25-17-8-10-24-11-9-17)31(29,30)27-14-12-26(13-15-27)18-4-2-1-3-5-18/h1-11,16H,12-15H2,(H,24,25,28)
InChIKeySPFKSVQJKOWICO-UHFFFAOYSA-N
MW456.96 g/mol
LogP3.50
Rot. Bonds5

About 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide

2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide (PubChem CID 24687022) has the molecular formula C22H21ClN4O3S and a molecular weight of 456.96 g/mol. Its IUPAC name is 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
PubChem CID24687022
Molecular FormulaC22H21ClN4O3S
Molecular Weight456.96 g/mol
Exact Mass456.10
IUPAC Name2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C22H21ClN4O3S/c23-21-7-6-19(16-20(21)22(28)25-17-8-10-24-11-9-17)31(29,30)27-14-12-26(13-15-27)18-4-2-1-3-5-18/h1-11,16H,12-15H2,(H,24,25,28)
InChIKeySPFKSVQJKOWICO-UHFFFAOYSA-N
XLogP3.50
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.96
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 4857710
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2679186
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 2369448
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 4179172
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
2-chloro-N-[(4-hydroxyphenyl)methyl]-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 25360479
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55389012
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387444
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 5009246
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
CID 45466358

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide (CID 24687022) is 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide?
The InChIKey is SPFKSVQJKOWICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3S/c23-21-7-6-19(16-20(21)22(28)25-17-8-10-24-11-9-17)31(29,30)27-14-12-26(13-15-27)18-4-2-1-3-5-18/h1-11,16H,12-15H2,(H,24,25,28).
What are the key properties of 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide?
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide has a molecular weight of 456.96 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 24687022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).