3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide

C23H27FN2O5S — CID 146120343

IUPAC3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide
SMILESCOc1ccc([C@H]2C[C@H](NS(=O)(=O)c3cccc(F)c3)C[C@@H]2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H27FN2O5S/c1-30-19-7-5-16(6-8-19)21-14-18(15-22(21)23(27)26-9-11-31-12-10-26)25-32(28,29)20-4-2-3-17(24)13-20/h2-8,13,18,21-22,25H,9-12,14-15H2,1H3/t18-,21+,22-/m0/s1
InChIKeyGNWSOBWUGITEID-BWAGFHJFSA-N
MW462.54 g/mol
LogP2.53
Rot. Bonds6

About 3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide

3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide (PubChem CID 146120343) has the molecular formula C23H27FN2O5S and a molecular weight of 462.54 g/mol. Its IUPAC name is 3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide
PubChem CID146120343
Molecular FormulaC23H27FN2O5S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC Name3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide
SMILESCOc1ccc([C@H]2C[C@H](NS(=O)(=O)c3cccc(F)c3)C[C@@H]2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H27FN2O5S/c1-30-19-7-5-16(6-8-19)21-14-18(15-22(21)23(27)26-9-11-31-12-10-26)25-32(28,29)20-4-2-3-17(24)13-20/h2-8,13,18,21-22,25H,9-12,14-15H2,1H3/t18-,21+,22-/m0/s1
InChIKeyGNWSOBWUGITEID-BWAGFHJFSA-N
XLogP2.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
CID 146120284
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide
CID 146120369
N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 146120348
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 146120385
[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentyl]-morpholin-4-ylmethanone
CID 146120324
1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea
CID 146120286
3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide
CID 146120417
[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42825231
1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
CID 146120411
[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 146120250
[(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 146120252
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 98772739

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide (CID 146120343) is 3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide is COc1ccc([C@H]2C[C@H](NS(=O)(=O)c3cccc(F)c3)C[C@@H]2C(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide?
The InChIKey is GNWSOBWUGITEID-BWAGFHJFSA-N. The full InChI is InChI=1S/C23H27FN2O5S/c1-30-19-7-5-16(6-8-19)21-14-18(15-22(21)23(27)26-9-11-31-12-10-26)25-32(28,29)20-4-2-3-17(24)13-20/h2-8,13,18,21-22,25H,9-12,14-15H2,1H3/t18-,21+,22-/m0/s1.
What are the key properties of 3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide?
3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide has a molecular weight of 462.54 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 146120343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).