2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C12H15N3O2S2 — CID 57295659

IUPAC2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C12H15N3O2S2/c1-8(2)11-13-14-12(18-11)15-19(16,17)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,14,15)
InChIKeyQTGYBDROMJUKKF-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.77
Rot. Bonds4

About 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 57295659) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID57295659
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C12H15N3O2S2/c1-8(2)11-13-14-12(18-11)15-19(16,17)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,14,15)
InChIKeyQTGYBDROMJUKKF-UHFFFAOYSA-N
XLogP2.77
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 57295659) is 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1nnc(C(C)C)s1.
What is the InChIKey of 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is QTGYBDROMJUKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-8(2)11-13-14-12(18-11)15-19(16,17)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,14,15).
What are the key properties of 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 57295659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).