(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide

C13H18FN3O4S — CID 125043565

IUPAC(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NN)C1
InChIInChI=1S/C13H18FN3O4S/c1-21-11-5-4-10(14)7-12(11)22(19,20)17-6-2-3-9(8-17)13(18)16-15/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeySOOMFQZJCQHCMZ-VIFPVBQESA-N
MW331.37 g/mol
LogP0.22
Rot. Bonds4

About (3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide

(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide (PubChem CID 125043565) has the molecular formula C13H18FN3O4S and a molecular weight of 331.37 g/mol. Its IUPAC name is (3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide
PubChem CID125043565
Molecular FormulaC13H18FN3O4S
Molecular Weight331.37 g/mol
Exact Mass331.10
IUPAC Name(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NN)C1
InChIInChI=1S/C13H18FN3O4S/c1-21-11-5-4-10(14)7-12(11)22(19,20)17-6-2-3-9(8-17)13(18)16-15/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeySOOMFQZJCQHCMZ-VIFPVBQESA-N
XLogP0.22
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872989
(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 30401696
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 94861598
(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30401699
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 133163640
(3R)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 28550561
(3R)-N-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126396882
(3S)-N-(2,4-difluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126397123
N-(3-cyanophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 133163619
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125043950
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 17018156

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide?
The IUPAC name of (3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide (CID 125043565) is (3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for (3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for (3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide is COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NN)C1.
What is the InChIKey of (3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide?
The InChIKey is SOOMFQZJCQHCMZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18FN3O4S/c1-21-11-5-4-10(14)7-12(11)22(19,20)17-6-2-3-9(8-17)13(18)16-15/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,16,18)/t9-/m0/s1.
What are the key properties of (3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide?
(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide has a molecular weight of 331.37 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 125043565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).