N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide

C27H28N6O3S — CID 56663289

IUPACN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2cccc(C(=O)Nc3cc(-c4cccc(NS(=O)(=O)c5ccccc5)c4)[nH]n3)c2)CC1
InChIInChI=1S/C27H28N6O3S/c1-32-13-15-33(16-14-32)23-10-6-8-21(18-23)27(34)28-26-19-25(29-30-26)20-7-5-9-22(17-20)31-37(35,36)24-11-3-2-4-12-24/h2-12,17-19,31H,13-16H2,1H3,(H2,28,29,30,34)
InChIKeyYEWDZQBQOJUCOS-UHFFFAOYSA-N
MW516.63 g/mol
LogP3.88
Rot. Bonds7

About N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide

N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide (PubChem CID 56663289) has the molecular formula C27H28N6O3S and a molecular weight of 516.63 g/mol. Its IUPAC name is N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
PubChem CID56663289
Molecular FormulaC27H28N6O3S
Molecular Weight516.63 g/mol
Exact Mass516.19
IUPAC NameN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2cccc(C(=O)Nc3cc(-c4cccc(NS(=O)(=O)c5ccccc5)c4)[nH]n3)c2)CC1
InChIInChI=1S/C27H28N6O3S/c1-32-13-15-33(16-14-32)23-10-6-8-21(18-23)27(34)28-26-19-25(29-30-26)20-7-5-9-22(17-20)31-37(35,36)24-11-3-2-4-12-24/h2-12,17-19,31H,13-16H2,1H3,(H2,28,29,30,34)
InChIKeyYEWDZQBQOJUCOS-UHFFFAOYSA-N
XLogP3.88
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.63
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[3-(ethylsulfonylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56680304
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
N-[3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide
CID 56666663
phenyl N-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamate
CID 70654499
N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 110362881
benzyl-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamic acid
CID 70654869
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 27689349
3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044059
N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 158352401
5-(benzenesulfonamido)-2-(4-methylpiperazin-1-yl)benzoic acid
CID 50766128
N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46474292

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide (CID 56663289) is N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2cccc(C(=O)Nc3cc(-c4cccc(NS(=O)(=O)c5ccccc5)c4)[nH]n3)c2)CC1.
What is the InChIKey of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is YEWDZQBQOJUCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3S/c1-32-13-15-33(16-14-32)23-10-6-8-21(18-23)27(34)28-26-19-25(29-30-26)20-7-5-9-22(17-20)31-37(35,36)24-11-3-2-4-12-24/h2-12,17-19,31H,13-16H2,1H3,(H2,28,29,30,34).
What are the key properties of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide?
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 516.63 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 56663289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).