4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

C12H16N4O3S — CID 62944142

IUPAC4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C12H16N4O3S/c1-9(2)7-19-10-3-5-11(6-4-10)20(17,18)16-12-13-8-14-15-12/h3-6,8-9H,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyKFOQPOIOQZJNFS-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.64
Rot. Bonds6

About 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 62944142) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID62944142
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C12H16N4O3S/c1-9(2)7-19-10-3-5-11(6-4-10)20(17,18)16-12-13-8-14-15-12/h3-6,8-9H,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyKFOQPOIOQZJNFS-UHFFFAOYSA-N
XLogP1.64
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394117
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 71850721
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride
CID 84760646
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 39854348
N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 115755254
3,5-difluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55152036
4-hexyl-N-[4-(2-methylpropoxy)phenyl]benzenesulfonamide
CID 84552359
4-(2-methylpropoxy)-N-(oxomethylidene)benzenesulfonamide
CID 114770545

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 62944142) is 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is CC(C)COc1ccc(S(=O)(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is KFOQPOIOQZJNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-9(2)7-19-10-3-5-11(6-4-10)20(17,18)16-12-13-8-14-15-12/h3-6,8-9H,7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 62944142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).