N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide

C20H25FN4O4S — CID 146120385

IUPACN-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C20H25FN4O4S/c1-24-13-17(12-22-24)30(27,28)23-16-10-18(14-2-4-15(21)5-3-14)19(11-16)20(26)25-6-8-29-9-7-25/h2-5,12-13,16,18-19,23H,6-11H2,1H3/t16-,18+,19-/m0/s1
InChIKeyBBRKQAADKZIJDX-UHOSZYNNSA-N
MW436.51 g/mol
LogP1.26
Rot. Bonds5

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

N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 146120385) has the molecular formula C20H25FN4O4S and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
PubChem CID146120385
Molecular FormulaC20H25FN4O4S
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC NameN-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C20H25FN4O4S/c1-24-13-17(12-22-24)30(27,28)23-16-10-18(14-2-4-15(21)5-3-14)19(11-16)20(26)25-6-8-29-9-7-25/h2-5,12-13,16,18-19,23H,6-11H2,1H3/t16-,18+,19-/m0/s1
InChIKeyBBRKQAADKZIJDX-UHOSZYNNSA-N
XLogP1.26
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide
CID 146120369
3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide
CID 146120343
N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 146120348
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
(1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 146120126
[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559905
cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321626
1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
CID 146120284
(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740393
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
CID 146120407
1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide
CID 156608033

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide (CID 146120385) is N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](c3ccc(F)cc3)C2)cn1.
What is the InChIKey of N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is BBRKQAADKZIJDX-UHOSZYNNSA-N. The full InChI is InChI=1S/C20H25FN4O4S/c1-24-13-17(12-22-24)30(27,28)23-16-10-18(14-2-4-15(21)5-3-14)19(11-16)20(26)25-6-8-29-9-7-25/h2-5,12-13,16,18-19,23H,6-11H2,1H3/t16-,18+,19-/m0/s1.
What are the key properties of N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide?
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 436.51 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 146120385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).