N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide

C16H17FN2O3S2 — CID 131892529

IUPACN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)c(C)s1
InChIInChI=1S/C16H17FN2O3S2/c1-10-7-15(11(2)23-10)24(21,22)18-13-8-16(20)19(9-13)14-5-3-12(17)4-6-14/h3-7,13,18H,8-9H2,1-2H3
InChIKeyIGILHTYSVXJQRX-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.59
Rot. Bonds4

About N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide

N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 131892529) has the molecular formula C16H17FN2O3S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide
PubChem CID131892529
Molecular FormulaC16H17FN2O3S2
Molecular Weight368.46 g/mol
Exact Mass368.07
IUPAC NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)c(C)s1
InChIInChI=1S/C16H17FN2O3S2/c1-10-7-15(11(2)23-10)24(21,22)18-13-8-16(20)19(9-13)14-5-3-12(17)4-6-14/h3-7,13,18H,8-9H2,1-2H3
InChIKeyIGILHTYSVXJQRX-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564806
2-fluoro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564829
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide
CID 7564571
2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564547
4-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564803
4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564804
4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16822444
4-fluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564615
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 40912201
3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564535
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 7564831

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide (CID 131892529) is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)c(C)s1.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is IGILHTYSVXJQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S2/c1-10-7-15(11(2)23-10)24(21,22)18-13-8-16(20)19(9-13)14-5-3-12(17)4-6-14/h3-7,13,18H,8-9H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide?
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 368.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 131892529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).