3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide

C10H12N4O2S — CID 19683356

IUPAC3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nn2cnnc2)cc1C
InChIInChI=1S/C10H12N4O2S/c1-8-3-4-10(5-9(8)2)17(15,16)13-14-6-11-12-7-14/h3-7,13H,1-2H3
InChIKeyXTJAXPXCDUBWJT-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.83
Rot. Bonds3

About 3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide

3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide (PubChem CID 19683356) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
PubChem CID19683356
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nn2cnnc2)cc1C
InChIInChI=1S/C10H12N4O2S/c1-8-3-4-10(5-9(8)2)17(15,16)13-14-6-11-12-7-14/h3-7,13H,1-2H3
InChIKeyXTJAXPXCDUBWJT-UHFFFAOYSA-N
XLogP0.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 561405
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CID 3505424
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CID 669300
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CID 521491
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CID 1477519
CID 1477519
CID 2147927
CID 2147927
CID 3113465
CID 3113465
CID 6462308
CID 6462308
CID 555204
CID 555204
CID 688072
CID 688072
CID 688654
CID 688654
CID 965236
CID 965236

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide (CID 19683356) is 3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nn2cnnc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The InChIKey is XTJAXPXCDUBWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-8-3-4-10(5-9(8)2)17(15,16)13-14-6-11-12-7-14/h3-7,13H,1-2H3.
What are the key properties of 3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 19683356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).