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

C9H9N3O2S2 — CID 563671

IUPAC4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIInChI=1S/C9H9N3O2S2/c1-7-2-4-8(5-3-7)16(13,14)12-9-11-10-6-15-9/h2-6H,1H3,(H,11,12)
InChIKeySABIPPCYQCEAEZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.65
Rot. Bonds3

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

4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 563671) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID563671
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC Name4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIInChI=1S/C9H9N3O2S2/c1-7-2-4-8(5-3-7)16(13,14)12-9-11-10-6-15-9/h2-6H,1H3,(H,11,12)
InChIKeySABIPPCYQCEAEZ-UHFFFAOYSA-N
XLogP1.65
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-{[(4-Methylphenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide
CID 394904
4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 44240850
4-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 2059558
Aromatic/heteroaromatic sulfonamide 36
CID 11632228
N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 871955
N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide
CID 789632
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
CID 903641
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
CID 829673
N-{2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1,1-dimethylethyl}-4-methylbenzenesulfonamide
CID 2198048
N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzenesulfonamide
CID 3158258
N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide
CID 6460553
4-tetradecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 52938854

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 563671) is 4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nncs2)cc1.
What is the InChIKey of 4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is SABIPPCYQCEAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c1-7-2-4-8(5-3-7)16(13,14)12-9-11-10-6-15-9/h2-6H,1H3,(H,11,12).
What are the key properties of 4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 255.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 563671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).