N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide

C24H29FN2O4S — CID 146120369

IUPACN-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](c3ccc(F)cc3)C2)c1
InChIInChI=1S/C24H29FN2O4S/c1-16-11-17(2)13-21(12-16)32(29,30)26-20-14-22(18-3-5-19(25)6-4-18)23(15-20)24(28)27-7-9-31-10-8-27/h3-6,11-13,20,22-23,26H,7-10,14-15H2,1-2H3/t20-,22+,23-/m0/s1
InChIKeyBAJSYHQLSBQONJ-WWNPGLIZSA-N
MW460.57 g/mol
LogP3.14
Rot. Bonds5

About N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide

N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide (PubChem CID 146120369) has the molecular formula C24H29FN2O4S and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide
PubChem CID146120369
Molecular FormulaC24H29FN2O4S
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC NameN-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](c3ccc(F)cc3)C2)c1
InChIInChI=1S/C24H29FN2O4S/c1-16-11-17(2)13-21(12-16)32(29,30)26-20-14-22(18-3-5-19(25)6-4-18)23(15-20)24(28)27-7-9-31-10-8-27/h3-6,11-13,20,22-23,26H,7-10,14-15H2,1-2H3/t20-,22+,23-/m0/s1
InChIKeyBAJSYHQLSBQONJ-WWNPGLIZSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide with MolForge

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Related Compounds

N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 146120385
3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide
CID 146120343
3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide
CID 146120417
1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
CID 146120411
N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 146120348
[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559905
1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
CID 146120284
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 159187569
(1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 146120126
(1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 146120120
[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896892
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 119516884

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide (CID 146120369) is N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](c3ccc(F)cc3)C2)c1.
What is the InChIKey of N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is BAJSYHQLSBQONJ-WWNPGLIZSA-N. The full InChI is InChI=1S/C24H29FN2O4S/c1-16-11-17(2)13-21(12-16)32(29,30)26-20-14-22(18-3-5-19(25)6-4-18)23(15-20)24(28)27-7-9-31-10-8-27/h3-6,11-13,20,22-23,26H,7-10,14-15H2,1-2H3/t20-,22+,23-/m0/s1.
What are the key properties of N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide?
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide has a molecular weight of 460.57 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 146120369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).