2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide

C17H17N5O3S — CID 49424419

IUPAC2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3C)cc2)n[nH]1
InChIInChI=1S/C17H17N5O3S/c1-10-3-8-14(26(18,24)25)9-15(10)17(23)20-13-6-4-12(5-7-13)16-19-11(2)21-22-16/h3-9H,1-2H3,(H,20,23)(H2,18,24,25)(H,19,21,22)
InChIKeyQNTXZAJODLULPP-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.99
Rot. Bonds4

About 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide

2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide (PubChem CID 49424419) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide
PubChem CID49424419
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3C)cc2)n[nH]1
InChIInChI=1S/C17H17N5O3S/c1-10-3-8-14(26(18,24)25)9-15(10)17(23)20-13-6-4-12(5-7-13)16-19-11(2)21-22-16/h3-9H,1-2H3,(H,20,23)(H2,18,24,25)(H,19,21,22)
InChIKeyQNTXZAJODLULPP-UHFFFAOYSA-N
XLogP1.99
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide (CID 49424419) is 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide is Cc1nc(-c2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3C)cc2)n[nH]1.
What is the InChIKey of 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide?
The InChIKey is QNTXZAJODLULPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-10-3-8-14(26(18,24)25)9-15(10)17(23)20-13-6-4-12(5-7-13)16-19-11(2)21-22-16/h3-9H,1-2H3,(H,20,23)(H2,18,24,25)(H,19,21,22).
What are the key properties of 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide?
2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide has a molecular weight of 371.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 49424419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).