3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide

C26H27N3O5S — CID 55645981

IUPAC3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)c2)cc1
InChIInChI=1S/C26H27N3O5S/c1-18-7-10-20(11-8-18)27-35(33,34)21-12-9-19(2)23(17-21)26(32)29-15-13-28(14-16-29)25(31)22-5-3-4-6-24(22)30/h3-12,17,27,30H,13-16H2,1-2H3
InChIKeyKYZDKRABWHOHOI-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.41
Rot. Bonds5

About 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide

3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 55645981) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID55645981
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC Name3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)c2)cc1
InChIInChI=1S/C26H27N3O5S/c1-18-7-10-20(11-8-18)27-35(33,34)21-12-9-19(2)23(17-21)26(32)29-15-13-28(14-16-29)25(31)22-5-3-4-6-24(22)30/h3-12,17,27,30H,13-16H2,1-2H3
InChIKeyKYZDKRABWHOHOI-UHFFFAOYSA-N
XLogP3.41
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-acetylpiperazine-1-carbonyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42992454
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 55646281
3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 43009938
4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
CID 55646338
4-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 71249741
3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55347584
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
3-(4-benzylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 26535449
N-(4-fluorophenyl)-4-methyl-3-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26556430
tert-butyl N-[1-[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]carbamate
CID 55736685
N-(4-ethoxyphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670419
(2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27508668

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 55645981) is 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)c2)cc1.
What is the InChIKey of 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is KYZDKRABWHOHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-18-7-10-20(11-8-18)27-35(33,34)21-12-9-19(2)23(17-21)26(32)29-15-13-28(14-16-29)25(31)22-5-3-4-6-24(22)30/h3-12,17,27,30H,13-16H2,1-2H3.
What are the key properties of 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 493.59 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 55645981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).