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

C22H25ClN4O3S2 — CID 50842174

IUPACN-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCCC3)c2)c(Cl)c1
InChIInChI=1S/C22H25ClN4O3S2/c1-15-6-7-19(18(23)10-15)25-32(29,30)17-11-20(22-24-16(2)14-31-22)27(12-17)13-21(28)26-8-4-3-5-9-26/h6-7,10-12,14,25H,3-5,8-9,13H2,1-2H3
InChIKeyIJEDMKGUIKGYHS-UHFFFAOYSA-N
MW493.05 g/mol
LogP4.70
Rot. Bonds6

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

N-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide (PubChem CID 50842174) has the molecular formula C22H25ClN4O3S2 and a molecular weight of 493.05 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
PubChem CID50842174
Molecular FormulaC22H25ClN4O3S2
Molecular Weight493.05 g/mol
Exact Mass492.11
IUPAC NameN-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCCC3)c2)c(Cl)c1
InChIInChI=1S/C22H25ClN4O3S2/c1-15-6-7-19(18(23)10-15)25-32(29,30)17-11-20(22-24-16(2)14-31-22)27(12-17)13-21(28)26-8-4-3-5-9-26/h6-7,10-12,14,25H,3-5,8-9,13H2,1-2H3
InChIKeyIJEDMKGUIKGYHS-UHFFFAOYSA-N
XLogP4.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.05
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-(2-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841914
N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842172
N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842088
N-(4-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841940
N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841909
N-cyclopropyl-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842115
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-(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-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide?
The IUPAC name of 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) is N-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCCC3)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide?
The InChIKey is IJEDMKGUIKGYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S2/c1-15-6-7-19(18(23)10-15)25-32(29,30)17-11-20(22-24-16(2)14-31-22)27(12-17)13-21(28)26-8-4-3-5-9-26/h6-7,10-12,14,25H,3-5,8-9,13H2,1-2H3.
What are the key properties of N-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide?
N-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide has a molecular weight of 493.05 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 50842174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).