1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide

C21H19N3O2S2 — CID 53035430

IUPAC1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccccc2)cc(-c2nc(-c3ccccc3)cs2)n1C
InChIInChI=1S/C21H19N3O2S2/c1-15-20(28(25,26)23-17-11-7-4-8-12-17)13-19(24(15)2)21-22-18(14-27-21)16-9-5-3-6-10-16/h3-14,23H,1-2H3
InChIKeyKTPDLRAQLUNFFX-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.92
Rot. Bonds5

About 1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide

1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide (PubChem CID 53035430) has the molecular formula C21H19N3O2S2 and a molecular weight of 409.54 g/mol. Its IUPAC name is 1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
PubChem CID53035430
Molecular FormulaC21H19N3O2S2
Molecular Weight409.54 g/mol
Exact Mass409.09
IUPAC Name1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccccc2)cc(-c2nc(-c3ccccc3)cs2)n1C
InChIInChI=1S/C21H19N3O2S2/c1-15-20(28(25,26)23-17-11-7-4-8-12-17)13-19(24(15)2)21-22-18(14-27-21)16-9-5-3-6-10-16/h3-14,23H,1-2H3
InChIKeyKTPDLRAQLUNFFX-UHFFFAOYSA-N
XLogP4.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methoxyphenyl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53104415
N-[(4-fluorophenyl)methyl]-1,2-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035420
N-[[4-(dimethylamino)phenyl]methyl]-1,2-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53104381
N-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,2-dimethylpyrrole-3-sulfonamide
CID 53035453
2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-phenyl-1,3-thiazole
CID 20972310
N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035527
1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286498
N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035513
2-fluoro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286327
5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-dimethyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide
CID 53104391
5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286211
1,2-dimethyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286251

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide (CID 53035430) is 1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide is Cc1c(S(=O)(=O)Nc2ccccc2)cc(-c2nc(-c3ccccc3)cs2)n1C.
What is the InChIKey of 1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The InChIKey is KTPDLRAQLUNFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S2/c1-15-20(28(25,26)23-17-11-7-4-8-12-17)13-19(24(15)2)21-22-18(14-27-21)16-9-5-3-6-10-16/h3-14,23H,1-2H3.
What are the key properties of 1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide has a molecular weight of 409.54 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 53035430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).