4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide

C13H17FN2O4S — CID 65388554

IUPAC4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
SMILESCOC1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1
InChIInChI=1S/C13H17FN2O4S/c1-20-9-4-6-16(7-5-9)13(17)11-8-10(21(15,18)19)2-3-12(11)14/h2-3,8-9H,4-7H2,1H3,(H2,15,18,19)
InChIKeyPZVCFRVYYSCGGK-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.72
Rot. Bonds3

About 4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide

4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 65388554) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
PubChem CID65388554
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
SMILESCOC1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1
InChIInChI=1S/C13H17FN2O4S/c1-20-9-4-6-16(7-5-9)13(17)11-8-10(21(15,18)19)2-3-12(11)14/h2-3,8-9H,4-7H2,1H3,(H2,15,18,19)
InChIKeyPZVCFRVYYSCGGK-UHFFFAOYSA-N
XLogP0.72
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
CID 60729832
3-[(4R)-4-aminoazepane-1-carbonyl]-4-fluorobenzenesulfonamide
CID 95716407
3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540940
2-bromo-4-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540977
[2-fluoro-5-(1-hydroxyprop-2-ynyl)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 137412336
3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide
CID 133124417
(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103706547
(2-fluoro-5-nitrophenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532712
3-[(4aS,8aR)-4a-(hydroxymethyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]-4-fluorobenzenesulfonamide
CID 56897367
3-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-4-fluorobenzenesulfonamide
CID 133117114
3-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide
CID 72881426
3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride
CID 65370983

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide (CID 65388554) is 4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide is COC1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1.
What is the InChIKey of 4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is PZVCFRVYYSCGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-20-9-4-6-16(7-5-9)13(17)11-8-10(21(15,18)19)2-3-12(11)14/h2-3,8-9H,4-7H2,1H3,(H2,15,18,19).
What are the key properties of 4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide?
4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 316.35 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 65388554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).