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

C12H13Cl2N3O2S2 — CID 1164238

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide
SMILESCC(C)(C)c1nnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C12H13Cl2N3O2S2/c1-12(2,3)10-15-16-11(20-10)17-21(18,19)9-6-7(13)4-5-8(9)14/h4-6H,1-3H3,(H,16,17)
InChIKeyZXRFLCNCHVQTLX-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.94
Rot. Bonds3

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

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide (PubChem CID 1164238) has the molecular formula C12H13Cl2N3O2S2 and a molecular weight of 366.30 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide
PubChem CID1164238
Molecular FormulaC12H13Cl2N3O2S2
Molecular Weight366.30 g/mol
Exact Mass364.98
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide
SMILESCC(C)(C)c1nnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C12H13Cl2N3O2S2/c1-12(2,3)10-15-16-11(20-10)17-21(18,19)9-6-7(13)4-5-8(9)14/h4-6H,1-3H3,(H,16,17)
InChIKeyZXRFLCNCHVQTLX-UHFFFAOYSA-N
XLogP3.94
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide (CID 1164238) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide is CC(C)(C)c1nnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide?
The InChIKey is ZXRFLCNCHVQTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2S2/c1-12(2,3)10-15-16-11(20-10)17-21(18,19)9-6-7(13)4-5-8(9)14/h4-6H,1-3H3,(H,16,17).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide has a molecular weight of 366.30 g/mol, XLogP of 3.94, 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)-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 1164238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).