3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide

C18H18N4O3S — CID 37044059

IUPAC3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)n(C)n1
InChIInChI=1S/C18H18N4O3S/c1-13-11-17(22(2)20-13)19-18(23)14-7-6-8-15(12-14)21-26(24,25)16-9-4-3-5-10-16/h3-12,21H,1-2H3,(H,19,23)
InChIKeyMJPWJIUSBALOBK-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.78
Rot. Bonds5

About 3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide

3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 37044059) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide
PubChem CID37044059
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)n(C)n1
InChIInChI=1S/C18H18N4O3S/c1-13-11-17(22(2)20-13)19-18(23)14-7-6-8-15(12-14)21-26(24,25)16-9-4-3-5-10-16/h3-12,21H,1-2H3,(H,19,23)
InChIKeyMJPWJIUSBALOBK-UHFFFAOYSA-N
XLogP2.78
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044050
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
3-(benzenesulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24686775
N-(2-benzyl-5-methylpyrazol-3-yl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 60571257
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46412624
3-(benzenesulfonamido)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 92677705
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 43156305

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide (CID 37044059) is 3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)n(C)n1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is MJPWJIUSBALOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13-11-17(22(2)20-13)19-18(23)14-7-6-8-15(12-14)21-26(24,25)16-9-4-3-5-10-16/h3-12,21H,1-2H3,(H,19,23).
What are the key properties of 3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide?
3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide has a molecular weight of 370.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 37044059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).