N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

C25H22FN3O6S3 — CID 10099638

IUPACN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c(F)c1
InChIInChI=1S/C25H22FN3O6S3/c1-37(31,32)23-7-3-2-5-17(23)16-8-9-21(18(26)15-16)29-13-4-6-20(25(29)30)28-38(33,34)24-11-10-22(36-24)19-12-14-35-27-19/h2-3,5,7-12,14-15,20,28H,4,6,13H2,1H3
InChIKeySGFSFNNCXKZEQZ-UHFFFAOYSA-N
MW575.67 g/mol
LogP4.09
Rot. Bonds7

About N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (PubChem CID 10099638) has the molecular formula C25H22FN3O6S3 and a molecular weight of 575.67 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
PubChem CID10099638
Molecular FormulaC25H22FN3O6S3
Molecular Weight575.67 g/mol
Exact Mass575.07
IUPAC NameN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c(F)c1
InChIInChI=1S/C25H22FN3O6S3/c1-37(31,32)23-7-3-2-5-17(23)16-8-9-21(18(26)15-16)29-13-4-6-20(25(29)30)28-38(33,34)24-11-10-22(36-24)19-12-14-35-27-19/h2-3,5,7-12,14-15,20,28H,4,6,13H2,1H3
InChIKeySGFSFNNCXKZEQZ-UHFFFAOYSA-N
XLogP4.09
TPSA126.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.67
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Sulfonamidopyrrolidinone 4d
CID 10623842
(E)-2-(5-chlorothiophen-2-yl)-N-[1-[4-[3-[(dimethylamino)methyl]-1,2-oxazol-4-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 44455904
1-{4-[4-({5-[5-(Trifluoromethyl)-1,2-oxazol-3-YL]thiophen-2-YL}sulfonyl)piperazin-1-YL]phenyl}ethan-1-one
CID 2813830
N-(1-benzylpiperidin-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 172438357
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 2738608
N-[3-fluoro-1-[4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 10289856
N-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 22640625
4-acetyl-1-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 25057365
N-[1-benzyl-6-(4-fluorophenyl)-3,4-dihydro-2H-quinolin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 52932296
[(3R)-4-[5-(5-fluoro-1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
CID 59007126
[(3R)-3-methyl-4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]-phenylmethanone
CID 59007199
3-[3-Fluoro-1-[4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 69142269

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (CID 10099638) is N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c(F)c1.
What is the InChIKey of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is SGFSFNNCXKZEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O6S3/c1-37(31,32)23-7-3-2-5-17(23)16-8-9-21(18(26)15-16)29-13-4-6-20(25(29)30)28-38(33,34)24-11-10-22(36-24)19-12-14-35-27-19/h2-3,5,7-12,14-15,20,28H,4,6,13H2,1H3.
What are the key properties of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 575.67 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 10099638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).