(5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide

C10H12N4O4S3 — CID 10807668

IUPAC(5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1
InChIInChI=1S/C10H12N4O4S3/c1-7-3-5-8(6-4-7)21(17,18)13-9-14(2)12-10(19-9)20(11,15)16/h3-6H,1-2H3,(H2,11,15,16)/b13-9+
InChIKeyJGNXJEMYLRMWGB-UKTHLTGXSA-N
MW348.43 g/mol
LogP-0.27
Rot. Bonds3

About (5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide

(5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 10807668) has the molecular formula C10H12N4O4S3 and a molecular weight of 348.43 g/mol. Its IUPAC name is (5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name(5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide
PubChem CID10807668
Molecular FormulaC10H12N4O4S3
Molecular Weight348.43 g/mol
Exact Mass348.00
IUPAC Name(5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1
InChIInChI=1S/C10H12N4O4S3/c1-7-3-5-8(6-4-7)21(17,18)13-9-14(2)12-10(19-9)20(11,15)16/h3-6H,1-2H3,(H2,11,15,16)/b13-9+
InChIKeyJGNXJEMYLRMWGB-UKTHLTGXSA-N
XLogP-0.27
TPSA124.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5E)-4-methyl-5-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]sulfonylimino-1,3,4-thiadiazole-2-sulfonamide perchlorate
CID 10578653
(5E)-4-methyl-5-(3-nitrophenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide
CID 10738480
2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide
CID 10813944
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[4-[(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]nonanamide
CID 54447780
(2S,3R)-3-[[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 177404034
2-methoxyethyl 3-[(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoate
CID 74996971
N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 3719225
(Z)-but-2-enedioic acid;N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide
CID 175512114
2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide
CID 3532872
5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide
CID 100967612
2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide perchlorate
CID 10625732
(2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide
CID 22850540

Frequently Asked Questions

What is the IUPAC name of (5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of (5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide (CID 10807668) is (5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for (5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for (5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide is Cc1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1.
What is the InChIKey of (5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is JGNXJEMYLRMWGB-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H12N4O4S3/c1-7-3-5-8(6-4-7)21(17,18)13-9-14(2)12-10(19-9)20(11,15)16/h3-6H,1-2H3,(H2,11,15,16)/b13-9+.
What are the key properties of (5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide?
(5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 10807668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).