N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide

C25H27N3O4S — CID 24818169

IUPACN-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2)c1C
InChIInChI=1S/C25H27N3O4S/c1-18-6-5-7-22(19(18)2)26-33(31,32)21-12-10-20(11-13-21)25(30)28-16-14-27(15-17-28)23-8-3-4-9-24(23)29/h3-13,26,29H,14-17H2,1-2H3
InChIKeyNEMMCYPCOMZPEE-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.77
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide

N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 24818169) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID24818169
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2)c1C
InChIInChI=1S/C25H27N3O4S/c1-18-6-5-7-22(19(18)2)26-33(31,32)21-12-10-20(11-13-21)25(30)28-16-14-27(15-17-28)23-8-3-4-9-24(23)29/h3-13,26,29H,14-17H2,1-2H3
InChIKeyNEMMCYPCOMZPEE-UHFFFAOYSA-N
XLogP3.77
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-hydroxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1094903
4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
3-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide;hydrochloride
CID 16239406
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 3320895
N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 24979676
BMP activator B06
CID 24980360
4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 25102652
N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25162618
[3-[4-(4-Fluorophenyl)piperazin-1-yl]sulfonylphenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25163894
N-(2-hydroxyphenyl)-3-{[(2-hydroxyphenyl)amino]sulfonyl}benzamide
CID 1099210
N-(2-hydroxy-5-methylphenyl)-3-(1-piperidinylsulfonyl)benzamide
CID 1262336

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide (CID 24818169) is N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is NEMMCYPCOMZPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-18-6-5-7-22(19(18)2)26-33(31,32)21-12-10-20(11-13-21)25(30)28-16-14-27(15-17-28)23-8-3-4-9-24(23)29/h3-13,26,29H,14-17H2,1-2H3.
What are the key properties of N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 465.58 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 24818169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).