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

C11H13N3O2S2 — CID 805926

IUPACN-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCCc1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C11H13N3O2S2/c1-2-6-10-12-13-11(17-10)14-18(15,16)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,14)
InChIKeyVBBXLSMOGDSAGR-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.29
Rot. Bonds5

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

N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 805926) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID805926
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCCc1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C11H13N3O2S2/c1-2-6-10-12-13-11(17-10)14-18(15,16)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,14)
InChIKeyVBBXLSMOGDSAGR-UHFFFAOYSA-N
XLogP2.29
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Glybuzole
CID 3489
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-Phenethyl-[1,3,4]thiadiazol-2-yl)-methanesulfonamide
CID 1094110
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-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide
CID 795491
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
CID 829673

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 805926) is N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCCc1nnc(NS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is VBBXLSMOGDSAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-2-6-10-12-13-11(17-10)14-18(15,16)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,14).
What are the key properties of N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 805926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).