3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide

C25H24N4O6S — CID 117075073

IUPAC3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(-n3cc(NS(=O)(=O)c4ccccc4)cn3)c2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O6S/c1-33-22-13-18(14-23(34-2)24(22)35-3)27-25(30)17-8-7-9-20(12-17)29-16-19(15-26-29)28-36(31,32)21-10-5-4-6-11-21/h4-16,28H,1-3H3,(H,27,30)
InChIKeyZXDLGOJGTQGVQP-UHFFFAOYSA-N
MW508.56 g/mol
LogP3.95
Rot. Bonds9

About 3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide

3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 117075073) has the molecular formula C25H24N4O6S and a molecular weight of 508.56 g/mol. Its IUPAC name is 3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID117075073
Molecular FormulaC25H24N4O6S
Molecular Weight508.56 g/mol
Exact Mass508.14
IUPAC Name3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(-n3cc(NS(=O)(=O)c4ccccc4)cn3)c2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O6S/c1-33-22-13-18(14-23(34-2)24(22)35-3)27-25(30)17-8-7-9-20(12-17)29-16-19(15-26-29)28-36(31,32)21-10-5-4-6-11-21/h4-16,28H,1-3H3,(H,27,30)
InChIKeyZXDLGOJGTQGVQP-UHFFFAOYSA-N
XLogP3.95
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.56
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 70702009
3-[4-[(2-bromophenyl)carbamothioylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 117076288
3-[(4-chlorophenyl)sulfonylamino]-N-[1-(3-methoxyphenyl)pyrazol-4-yl]benzamide
CID 155555935
3-(ethylsulfamoyl)-N-(1-phenylpyrazol-4-yl)benzamide
CID 86848842
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-4-yl)benzamide
CID 47081142
3-[4-[(5-chloro-1,3-benzodioxol-4-yl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 117076255
3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 27258622
5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 20910382
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 69347102
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 27258631
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 29202603

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide (CID 117075073) is 3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2cccc(-n3cc(NS(=O)(=O)c4ccccc4)cn3)c2)cc(OC)c1OC.
What is the InChIKey of 3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is ZXDLGOJGTQGVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O6S/c1-33-22-13-18(14-23(34-2)24(22)35-3)27-25(30)17-8-7-9-20(12-17)29-16-19(15-26-29)28-36(31,32)21-10-5-4-6-11-21/h4-16,28H,1-3H3,(H,27,30).
What are the key properties of 3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 508.56 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzenesulfonamido)pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 117075073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).