N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide

C20H21FN4O4S2 — CID 50845088

IUPACN-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)Nc3cccc(F)c3)cn2CC(=O)N2CCOCC2)n1
InChIInChI=1S/C20H21FN4O4S2/c1-14-13-30-20(22-14)18-10-17(31(27,28)23-16-4-2-3-15(21)9-16)11-25(18)12-19(26)24-5-7-29-8-6-24/h2-4,9-11,13,23H,5-8,12H2,1H3
InChIKeyGZOWLERCUHFUGM-UHFFFAOYSA-N
MW464.54 g/mol
LogP2.72
Rot. Bonds6

About N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide

N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide (PubChem CID 50845088) has the molecular formula C20H21FN4O4S2 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
PubChem CID50845088
Molecular FormulaC20H21FN4O4S2
Molecular Weight464.54 g/mol
Exact Mass464.10
IUPAC NameN-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)Nc3cccc(F)c3)cn2CC(=O)N2CCOCC2)n1
InChIInChI=1S/C20H21FN4O4S2/c1-14-13-30-20(22-14)18-10-17(31(27,28)23-16-4-2-3-15(21)9-16)11-25(18)12-19(26)24-5-7-29-8-6-24/h2-4,9-11,13,23H,5-8,12H2,1H3
InChIKeyGZOWLERCUHFUGM-UHFFFAOYSA-N
XLogP2.72
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
CID 50845061
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-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842172
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-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
CID 50845233
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-fluoro-5-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842091
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-cyclopropyl-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842115
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-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841909

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide (CID 50845088) is N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide is Cc1csc(-c2cc(S(=O)(=O)Nc3cccc(F)c3)cn2CC(=O)N2CCOCC2)n1.
What is the InChIKey of N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide?
The InChIKey is GZOWLERCUHFUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S2/c1-14-13-30-20(22-14)18-10-17(31(27,28)23-16-4-2-3-15(21)9-16)11-25(18)12-19(26)24-5-7-29-8-6-24/h2-4,9-11,13,23H,5-8,12H2,1H3.
What are the key properties of N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide?
N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide has a molecular weight of 464.54 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 50845088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).