N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide

C21H23FN4O3S2 — CID 50842091

IUPACN-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCC3)c2)c1
InChIInChI=1S/C21H23FN4O3S2/c1-14-5-6-17(22)18(9-14)24-31(28,29)16-10-19(21-23-15(2)13-30-21)26(11-16)12-20(27)25-7-3-4-8-25/h5-6,9-11,13,24H,3-4,7-8,12H2,1-2H3
InChIKeyBFPHNBHVKVNMJF-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.79
Rot. Bonds6

About N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide

N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide (PubChem CID 50842091) has the molecular formula C21H23FN4O3S2 and a molecular weight of 462.57 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
PubChem CID50842091
Molecular FormulaC21H23FN4O3S2
Molecular Weight462.57 g/mol
Exact Mass462.12
IUPAC NameN-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCC3)c2)c1
InChIInChI=1S/C21H23FN4O3S2/c1-14-5-6-17(22)18(9-14)24-31(28,29)16-10-19(21-23-15(2)13-30-21)26(11-16)12-20(27)25-7-3-4-8-25/h5-6,9-11,13,24H,3-4,7-8,12H2,1-2H3
InChIKeyBFPHNBHVKVNMJF-UHFFFAOYSA-N
XLogP3.79
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841914
N-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842174
N-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841910
N-(4-chloro-2-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842140
N-(5-chloro-2-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841809
N-(4-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841940
N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842088
N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841909
N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842172
N-cyclopropyl-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842115
N-(3,5-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841803
N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
CID 50845061

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide (CID 50842091) is N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide is Cc1ccc(F)c(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCC3)c2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide?
The InChIKey is BFPHNBHVKVNMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S2/c1-14-5-6-17(22)18(9-14)24-31(28,29)16-10-19(21-23-15(2)13-30-21)26(11-16)12-20(27)25-7-3-4-8-25/h5-6,9-11,13,24H,3-4,7-8,12H2,1-2H3.
What are the key properties of N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide?
N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide has a molecular weight of 462.57 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 50842091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).