N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide

C11H13N3O2S2 — CID 102297761

IUPACN-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide
SMILESCc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1
InChIInChI=1S/C11H13N3O2S2/c1-9-12-13-11(17-9)18(15,16)14(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyYAZNCNUBEPZMEO-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.67
Rot. Bonds4

About N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide

N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 102297761) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide
PubChem CID102297761
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide
SMILESCc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1
InChIInChI=1S/C11H13N3O2S2/c1-9-12-13-11(17-9)18(15,16)14(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyYAZNCNUBEPZMEO-UHFFFAOYSA-N
XLogP1.67
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-phenyl-
CID 290120
1,3,4-Thiadiazole-2-sulfonamide, 5-phenyl-
CID 3048278
2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-5-methyl-1,3,4-thiadiazole
CID 23847980
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 75506990
2-(4-Methylphenyl)-5-methylsulfonyl-1,3,4-thiadiazole
CID 13021927
2-(Ethanesulfonyl)-5-phenyl-1,3,4-thiadiazole
CID 13436841
5-Phenyl-1,3,4-thiadiazole-2-sulfonyl chloride
CID 21092756
2-Phenyl-5-propylsulfonyl-1,3,4-thiadiazole
CID 85546565
2-Benzyl-5-ethylsulfonyl-1,3,4-thiadiazole
CID 121220124
2-Benzyl-5-methylsulfonyl-1,3,4-thiadiazole
CID 141754748
Sodium;hydride;5-phenyl-1,3,4-thiadiazole-2-sulfonamide
CID 174928149
2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-5-methyl-1,3,4-thiadiazole
CID 24019287

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide (CID 102297761) is N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide is Cc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1.
What is the InChIKey of N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is YAZNCNUBEPZMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-9-12-13-11(17-9)18(15,16)14(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide?
N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 102297761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).