3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide

C20H21BrN4O4S — CID 37044050

IUPAC3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C)nn3C)c2)cc1Br
InChIInChI=1S/C20H21BrN4O4S/c1-4-29-18-9-8-15(12-17(18)21)24-30(27,28)16-7-5-6-14(11-16)20(26)22-19-10-13(2)23-25(19)3/h5-12,24H,4H2,1-3H3,(H,22,26)
InChIKeyZWNNSQSZLZHEEO-UHFFFAOYSA-N
MW493.38 g/mol
LogP3.94
Rot. Bonds7

About 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide

3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 37044050) has the molecular formula C20H21BrN4O4S and a molecular weight of 493.38 g/mol. Its IUPAC name is 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
PubChem CID37044050
Molecular FormulaC20H21BrN4O4S
Molecular Weight493.38 g/mol
Exact Mass492.05
IUPAC Name3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C)nn3C)c2)cc1Br
InChIInChI=1S/C20H21BrN4O4S/c1-4-29-18-9-8-15(12-17(18)21)24-30(27,28)16-7-5-6-14(11-16)20(26)22-19-10-13(2)23-25(19)3/h5-12,24H,4H2,1-3H3,(H,22,26)
InChIKeyZWNNSQSZLZHEEO-UHFFFAOYSA-N
XLogP3.94
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044059
3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 26641485
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 30881386
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217
N-(3-bromo-4-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 43001746
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide
CID 26575177
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289
N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 37045799
3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 35032875
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 17466951
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide (CID 37044050) is 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide is CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C)nn3C)c2)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is ZWNNSQSZLZHEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O4S/c1-4-29-18-9-8-15(12-17(18)21)24-30(27,28)16-7-5-6-14(11-16)20(26)22-19-10-13(2)23-25(19)3/h5-12,24H,4H2,1-3H3,(H,22,26).
What are the key properties of 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide?
3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide has a molecular weight of 493.38 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 37044050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).