N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide

C12H16N4O3S — CID 126828292

IUPACN-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1n[nH]nc1NS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C12H16N4O3S/c1-8(2)19-10-4-6-11(7-5-10)20(17,18)15-12-9(3)13-16-14-12/h4-8H,1-3H3,(H2,13,14,15,16)
InChIKeyTZYWROBCHBEJFH-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.70
Rot. Bonds5

About N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide

N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 126828292) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID126828292
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1n[nH]nc1NS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C12H16N4O3S/c1-8(2)19-10-4-6-11(7-5-10)20(17,18)15-12-9(3)13-16-14-12/h4-8H,1-3H3,(H2,13,14,15,16)
InChIKeyTZYWROBCHBEJFH-UHFFFAOYSA-N
XLogP1.70
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 110720169
N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide
CID 39389642
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174
ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
CID 84563770
N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-propan-2-yloxybenzenesulfonamide
CID 126796741
N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide
CID 126833875
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 71850721
N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319
N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112984727
N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
CID 70834325
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzenesulfonamide
CID 28861656

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide (CID 126828292) is N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide is Cc1n[nH]nc1NS(=O)(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is TZYWROBCHBEJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-8(2)19-10-4-6-11(7-5-10)20(17,18)15-12-9(3)13-16-14-12/h4-8H,1-3H3,(H2,13,14,15,16).
What are the key properties of N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide?
N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 126828292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).