2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide

C10H12N4O3S — CID 172906645

IUPAC2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)Nn1cnnc1
InChIInChI=1S/C10H12N4O3S/c1-8-3-4-10(9(5-8)17-2)18(15,16)13-14-6-11-12-7-14/h3-7,13H,1-2H3
InChIKeyPRNFJADJAXRFMI-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.53
Rot. Bonds4

About 2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide

2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide (PubChem CID 172906645) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
PubChem CID172906645
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)Nn1cnnc1
InChIInChI=1S/C10H12N4O3S/c1-8-3-4-10(9(5-8)17-2)18(15,16)13-14-6-11-12-7-14/h3-7,13H,1-2H3
InChIKeyPRNFJADJAXRFMI-UHFFFAOYSA-N
XLogP0.53
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50876761
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876651
2-methoxy-4-methylbenzenesulfonyl fluoride
CID 141209179
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide
CID 131938285
1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide
CID 19683372
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
2-methoxy-4-methyl-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 90492477
N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide
CID 22206049
2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 22203631

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide (CID 172906645) is 2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide is COc1cc(C)ccc1S(=O)(=O)Nn1cnnc1.
What is the InChIKey of 2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The InChIKey is PRNFJADJAXRFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-8-3-4-10(9(5-8)17-2)18(15,16)13-14-6-11-12-7-14/h3-7,13H,1-2H3.
What are the key properties of 2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide has a molecular weight of 268.30 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 172906645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).