3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide

C19H17ClN4O2S2 — CID 53163190

IUPAC3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1nn2c(CNS(=O)(=O)c3cccc(Cl)c3C)c(-c3ccccc3)nc2s1
InChIInChI=1S/C19H17ClN4O2S2/c1-12-15(20)9-6-10-17(12)28(25,26)21-11-16-18(14-7-4-3-5-8-14)22-19-24(16)23-13(2)27-19/h3-10,21H,11H2,1-2H3
InChIKeyFCTOYEPOOOEXDB-UHFFFAOYSA-N
MW432.96 g/mol
LogP4.21
Rot. Bonds5

About 3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide

3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 53163190) has the molecular formula C19H17ClN4O2S2 and a molecular weight of 432.96 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID53163190
Molecular FormulaC19H17ClN4O2S2
Molecular Weight432.96 g/mol
Exact Mass432.05
IUPAC Name3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1nn2c(CNS(=O)(=O)c3cccc(Cl)c3C)c(-c3ccccc3)nc2s1
InChIInChI=1S/C19H17ClN4O2S2/c1-12-15(20)9-6-10-17(12)28(25,26)21-11-16-18(14-7-4-3-5-8-14)22-19-24(16)23-13(2)27-19/h3-10,21H,11H2,1-2H3
InChIKeyFCTOYEPOOOEXDB-UHFFFAOYSA-N
XLogP4.21
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
CID 53163185
4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
CID 53163162
1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide
CID 53163198
5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646481
3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide
CID 121123429
N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 53163111
3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 21110297
5-[[(3-chloro-2-methylphenyl)sulfonylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 53100358
3-chloro-2-methyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide
CID 90569758
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-methoxybenzenesulfonamide
CID 53163237
3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 39628447
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide (CID 53163190) is 3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide is Cc1nn2c(CNS(=O)(=O)c3cccc(Cl)c3C)c(-c3ccccc3)nc2s1.
What is the InChIKey of 3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is FCTOYEPOOOEXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S2/c1-12-15(20)9-6-10-17(12)28(25,26)21-11-16-18(14-7-4-3-5-8-14)22-19-24(16)23-13(2)27-19/h3-10,21H,11H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide?
3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 432.96 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 53163190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).