2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide

C18H18N4O3S — CID 55840948

IUPAC2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H18N4O3S/c1-12-2-7-15(26(19,24)25)10-16(12)18(23)20-11-13-3-5-14(6-4-13)17-8-9-21-22-17/h2-10H,11H2,1H3,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyZFWCIAJDEOCCBS-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.96
Rot. Bonds5

About 2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide

2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide (PubChem CID 55840948) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide
PubChem CID55840948
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H18N4O3S/c1-12-2-7-15(26(19,24)25)10-16(12)18(23)20-11-13-3-5-14(6-4-13)17-8-9-21-22-17/h2-10H,11H2,1H3,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyZFWCIAJDEOCCBS-UHFFFAOYSA-N
XLogP1.96
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 55841203
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea
CID 55909410
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide
CID 42010369
5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 61241953
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 55728144
2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 164945781
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide
CID 79777228
N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide (CID 55840948) is 2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide?
The InChIKey is ZFWCIAJDEOCCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-12-2-7-15(26(19,24)25)10-16(12)18(23)20-11-13-3-5-14(6-4-13)17-8-9-21-22-17/h2-10H,11H2,1H3,(H,20,23)(H,21,22)(H2,19,24,25).
What are the key properties of 2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide?
2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide has a molecular weight of 370.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 55840948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).