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4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide

C24H25FN4O3S — CID 118412514

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide
SMILESCc1cc(F)ccc1Nc1cc(S(N)(=O)=O)ncc1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H25FN4O3S/c1-16-13-19(25)7-8-21(16)28-22-14-23(33(26,31)32)27-15-20(22)24(30)29-11-9-18(10-12-29)17-5-3-2-4-6-17/h2-8,13-15,18H,9-12H2,1H3,(H,27,28)(H2,26,31,32)
InChIKeyKVKDRZIWMBYOCI-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.94
Rot. Bonds5

About 4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide

4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide (PubChem CID 118412514) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide
PubChem CID118412514
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC Name4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide
SMILESCc1cc(F)ccc1Nc1cc(S(N)(=O)=O)ncc1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H25FN4O3S/c1-16-13-19(25)7-8-21(16)28-22-14-23(33(26,31)32)27-15-20(22)24(30)29-11-9-18(10-12-29)17-5-3-2-4-6-17/h2-8,13-15,18H,9-12H2,1H3,(H,27,28)(H2,26,31,32)
InChIKeyKVKDRZIWMBYOCI-UHFFFAOYSA-N
XLogP3.94
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide?
The IUPAC name of 4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide (CID 118412514) is 4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide is Cc1cc(F)ccc1Nc1cc(S(N)(=O)=O)ncc1C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide?
The InChIKey is KVKDRZIWMBYOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-16-13-19(25)7-8-21(16)28-22-14-23(33(26,31)32)27-15-20(22)24(30)29-11-9-18(10-12-29)17-5-3-2-4-6-17/h2-8,13-15,18H,9-12H2,1H3,(H,27,28)(H2,26,31,32).
What are the key properties of 4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide?
4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide has a molecular weight of 468.55 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide is sourced from PubChem (CID 118412514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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