N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide

C18H20ClN3O2S2 — CID 53035535

IUPACN-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1cc(-c2nc(C)c(C)s2)n(C)c1C
InChIInChI=1S/C18H20ClN3O2S2/c1-10-8-14(19)6-7-15(10)21-26(23,24)17-9-16(22(5)12(17)3)18-20-11(2)13(4)25-18/h6-9,21H,1-5H3
InChIKeySGMJGMAXNYEVNR-UHFFFAOYSA-N
MW409.96 g/mol
LogP4.84
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide

N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide (PubChem CID 53035535) has the molecular formula C18H20ClN3O2S2 and a molecular weight of 409.96 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
PubChem CID53035535
Molecular FormulaC18H20ClN3O2S2
Molecular Weight409.96 g/mol
Exact Mass409.07
IUPAC NameN-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1cc(-c2nc(C)c(C)s2)n(C)c1C
InChIInChI=1S/C18H20ClN3O2S2/c1-10-8-14(19)6-7-15(10)21-26(23,24)17-9-16(22(5)12(17)3)18-20-11(2)13(4)25-18/h6-9,21H,1-5H3
InChIKeySGMJGMAXNYEVNR-UHFFFAOYSA-N
XLogP4.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53035553
N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53115047
N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035527
N-(2-chlorophenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114781
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 53115032
N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 53008171
N-(2,6-dimethylphenyl)-1,2-dimethyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114958
2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81428591
N-(4-chloro-2-methylphenyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292486
1,2-dimethyl-N-(4-methylphenyl)-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114780
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026864

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide (CID 53035535) is N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide is Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(-c2nc(C)c(C)s2)n(C)c1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide?
The InChIKey is SGMJGMAXNYEVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S2/c1-10-8-14(19)6-7-15(10)21-26(23,24)17-9-16(22(5)12(17)3)18-20-11(2)13(4)25-18/h6-9,21H,1-5H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide?
N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide has a molecular weight of 409.96 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53035535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).