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

C20H20F2N4O3S2 — CID 50841910

IUPACN-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2CC(=O)N2CCCC2)n1
InChIInChI=1S/C20H20F2N4O3S2/c1-13-12-30-20(23-13)18-9-15(10-26(18)11-19(27)25-6-2-3-7-25)31(28,29)24-14-4-5-16(21)17(22)8-14/h4-5,8-10,12,24H,2-3,6-7,11H2,1H3
InChIKeyBKLSYJUDTRCQCR-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.62
Rot. Bonds6

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

N-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide (PubChem CID 50841910) has the molecular formula C20H20F2N4O3S2 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
PubChem CID50841910
Molecular FormulaC20H20F2N4O3S2
Molecular Weight466.54 g/mol
Exact Mass466.09
IUPAC NameN-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2CC(=O)N2CCCC2)n1
InChIInChI=1S/C20H20F2N4O3S2/c1-13-12-30-20(23-13)18-9-15(10-26(18)11-19(27)25-6-2-3-7-25)31(28,29)24-14-4-5-16(21)17(22)8-14/h4-5,8-10,12,24H,2-3,6-7,11H2,1H3
InChIKeyBKLSYJUDTRCQCR-UHFFFAOYSA-N
XLogP3.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-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-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842088
N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842172
N-(2-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841914
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-(3,5-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841803
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-(3-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
CID 50845088
N-cyclopropyl-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842115
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-(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-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide (CID 50841910) is N-(3,4-difluorophenyl)-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-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide is Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2CC(=O)N2CCCC2)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide?
The InChIKey is BKLSYJUDTRCQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3S2/c1-13-12-30-20(23-13)18-9-15(10-26(18)11-19(27)25-6-2-3-7-25)31(28,29)24-14-4-5-16(21)17(22)8-14/h4-5,8-10,12,24H,2-3,6-7,11H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide?
N-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide has a molecular weight of 466.54 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 50841910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).