N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide

C19H23N3O2S2 — CID 53035513

IUPACN-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1cc(-c2nc(C)cs2)n(C)c1C
InChIInChI=1S/C19H23N3O2S2/c1-6-15-9-7-8-12(2)18(15)21-26(23,24)17-10-16(22(5)14(17)4)19-20-13(3)11-25-19/h7-11,21H,6H2,1-5H3
InChIKeyXIPKJIOSMKSAMT-UHFFFAOYSA-N
MW389.55 g/mol
LogP4.44
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide

N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide (PubChem CID 53035513) has the molecular formula C19H23N3O2S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
PubChem CID53035513
Molecular FormulaC19H23N3O2S2
Molecular Weight389.55 g/mol
Exact Mass389.12
IUPAC NameN-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1cc(-c2nc(C)cs2)n(C)c1C
InChIInChI=1S/C19H23N3O2S2/c1-6-15-9-7-8-12(2)18(15)21-26(23,24)17-10-16(22(5)14(17)4)19-20-13(3)11-25-19/h7-11,21H,6H2,1-5H3
InChIKeyXIPKJIOSMKSAMT-UHFFFAOYSA-N
XLogP4.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035527
N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53104512
N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53104479
1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035430
N-(2,6-dimethylphenyl)-1,2-dimethyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114958
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methoxyphenyl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53104415
4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 43258104
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
N-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,2-dimethylpyrrole-3-sulfonamide
CID 53035453
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
N-(2-ethyl-6-methylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969496

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide (CID 53035513) is N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2nc(C)cs2)n(C)c1C.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The InChIKey is XIPKJIOSMKSAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2/c1-6-15-9-7-8-12(2)18(15)21-26(23,24)17-10-16(22(5)14(17)4)19-20-13(3)11-25-19/h7-11,21H,6H2,1-5H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide has a molecular weight of 389.55 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 53035513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).