2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide

C12H15N5O3S — CID 64517256

IUPAC2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ncn[nH]2)cc1C(N)=O
InChIInChI=1S/C12H15N5O3S/c1-8-3-4-9(5-10(8)12(13)18)21(19,20)17(2)6-11-14-7-15-16-11/h3-5,7H,6H2,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeyMPGINALDAQOLNT-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.03
Rot. Bonds5

About 2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide

2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide (PubChem CID 64517256) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide
PubChem CID64517256
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ncn[nH]2)cc1C(N)=O
InChIInChI=1S/C12H15N5O3S/c1-8-3-4-9(5-10(8)12(13)18)21(19,20)17(2)6-11-14-7-15-16-11/h3-5,7H,6H2,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeyMPGINALDAQOLNT-UHFFFAOYSA-N
XLogP0.03
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106919443
4-amino-3-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 82844189
N-methyl-4-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64518617
5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
CID 62333140
5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide
CID 34035463
3-amino-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64512148
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 64512887
N-methyl-4-(2-methylpropyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64519189
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide
CID 34040667
2-methyl-3-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzoic acid
CID 64512210
4-butan-2-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64519000
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64511818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide?
The IUPAC name of 2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide (CID 64517256) is 2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide?
The canonical SMILES for 2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide is Cc1ccc(S(=O)(=O)N(C)Cc2ncn[nH]2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide?
The InChIKey is MPGINALDAQOLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-8-3-4-9(5-10(8)12(13)18)21(19,20)17(2)6-11-14-7-15-16-11/h3-5,7H,6H2,1-2H3,(H2,13,18)(H,14,15,16).
What are the key properties of 2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide?
2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide has a molecular weight of 309.35 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide is sourced from PubChem (CID 64517256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).