N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C12H15N3O2S2 — CID 3489

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IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C12H15N3O2S2/c1-12(2,3)10-13-14-11(18-10)15-19(16,17)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15)
InChIKeyNMWQEPCLNXHPDX-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.64
Rot. Bonds3

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 3489) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID3489
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C12H15N3O2S2/c1-12(2,3)10-13-14-11(18-10)15-19(16,17)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15)
InChIKeyNMWQEPCLNXHPDX-UHFFFAOYSA-N
XLogP2.64
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
CID 777661
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide
CID 805923
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
CID 846181
4-Butyl-N-(5-methyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide
CID 2059558
p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-
CID 97034
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
CID 769155
N-(5-Propyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide
CID 805926
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzenesulfonamide
CID 656064
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 697506
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
CID 829673
4-Chloro-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 200351
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide
CID 769167

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 3489) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is NMWQEPCLNXHPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-12(2,3)10-13-14-11(18-10)15-19(16,17)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 3489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).