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

C11H13N3O2S2 — CID 110870208

IUPAC4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nnc(C)s2)cc1
InChIInChI=1S/C11H13N3O2S2/c1-8-3-5-10(6-4-8)18(15,16)12-7-11-14-13-9(2)17-11/h3-6,12H,7H2,1-2H3
InChIKeyZTYQCEOERHCDOC-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.63
Rot. Bonds4

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

4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110870208) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110870208
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nnc(C)s2)cc1
InChIInChI=1S/C11H13N3O2S2/c1-8-3-5-10(6-4-8)18(15,16)12-7-11-14-13-9(2)17-11/h3-6,12H,7H2,1-2H3
InChIKeyZTYQCEOERHCDOC-UHFFFAOYSA-N
XLogP1.63
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870210
3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870212
N-[[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 102500654
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
CID 121122925
2-iodo-N-[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1248365
N-(4-methoxyphenyl)-5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53100281
2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 671679
N-[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-thiadiazol-2-yl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 3983907
1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrole-3-carboxamide
CID 146501054
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 92659524
N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17193287
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide (CID 110870208) is 4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nnc(C)s2)cc1.
What is the InChIKey of 4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is ZTYQCEOERHCDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-8-3-5-10(6-4-8)18(15,16)12-7-11-14-13-9(2)17-11/h3-6,12H,7H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110870208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).