2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide

C24H24ClN3O3S — CID 4857710

IUPAC2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)cc1
InChIInChI=1S/C24H24ClN3O3S/c1-18-7-9-19(10-8-18)26-24(29)22-17-21(11-12-23(22)25)32(30,31)28-15-13-27(14-16-28)20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3,(H,26,29)
InChIKeyCAVCSRTWECRCOJ-UHFFFAOYSA-N
MW469.99 g/mol
LogP4.41
Rot. Bonds5

About 2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide

2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 4857710) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is 2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
PubChem CID4857710
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC Name2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)cc1
InChIInChI=1S/C24H24ClN3O3S/c1-18-7-9-19(10-8-18)26-24(29)22-17-21(11-12-23(22)25)32(30,31)28-15-13-27(14-16-28)20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3,(H,26,29)
InChIKeyCAVCSRTWECRCOJ-UHFFFAOYSA-N
XLogP4.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
CID 24687022
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 2369448
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55389012
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2679186
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387444
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
CID 45466358
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 4179172
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
2-chloro-N-[(4-hydroxyphenyl)methyl]-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 25360479

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide (CID 4857710) is 2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is CAVCSRTWECRCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c1-18-7-9-19(10-8-18)26-24(29)22-17-21(11-12-23(22)25)32(30,31)28-15-13-27(14-16-28)20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3,(H,26,29).
What are the key properties of 2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 469.99 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 4857710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).