4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide

C24H31FN4O3S — CID 118412361

IUPAC4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide
SMILESCc1c(S(N)(=O)=O)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1NC1CCCCC1
InChIInChI=1S/C24H31FN4O3S/c1-16-22(28-20-5-3-2-4-6-20)21(15-27-23(16)33(26,31)32)24(30)29-13-11-18(12-14-29)17-7-9-19(25)10-8-17/h7-10,15,18,20H,2-6,11-14H2,1H3,(H,27,28)(H2,26,31,32)
InChIKeyADPPGDXRIOCWQR-UHFFFAOYSA-N
MW474.60 g/mol
LogP3.94
Rot. Bonds5

About 4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide

4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide (PubChem CID 118412361) has the molecular formula C24H31FN4O3S and a molecular weight of 474.60 g/mol. Its IUPAC name is 4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide
PubChem CID118412361
Molecular FormulaC24H31FN4O3S
Molecular Weight474.60 g/mol
Exact Mass474.21
IUPAC Name4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide
SMILESCc1c(S(N)(=O)=O)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1NC1CCCCC1
InChIInChI=1S/C24H31FN4O3S/c1-16-22(28-20-5-3-2-4-6-20)21(15-27-23(16)33(26,31)32)24(30)29-13-11-18(12-14-29)17-7-9-19(25)10-8-17/h7-10,15,18,20H,2-6,11-14H2,1H3,(H,27,28)(H2,26,31,32)
InChIKeyADPPGDXRIOCWQR-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 ≤ 500474.60
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonic acid
CID 118412792
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(3-methylanilino)pyridine-2-sulfonic acid
CID 118412574
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412752
3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methyl-4-nitroanilino)pyridine-2-sulfonamide
CID 118412635
4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412903
[6-chloro-4-(2-chloro-5-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412217
[6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412730
[6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412213
4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412317
3-chloro-4-(5-chloro-2-methylanilino)-5-[3-(4-fluorophenyl)azetidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412421
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonic acid
CID 118412207
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide
CID 118412382

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide?
The IUPAC name of 4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide (CID 118412361) is 4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide.
What is the SMILES notation for 4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide?
The canonical SMILES for 4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide is Cc1c(S(N)(=O)=O)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1NC1CCCCC1.
What is the InChIKey of 4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide?
The InChIKey is ADPPGDXRIOCWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3S/c1-16-22(28-20-5-3-2-4-6-20)21(15-27-23(16)33(26,31)32)24(30)29-13-11-18(12-14-29)17-7-9-19(25)10-8-17/h7-10,15,18,20H,2-6,11-14H2,1H3,(H,27,28)(H2,26,31,32).
What are the key properties of 4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide?
4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide has a molecular weight of 474.60 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-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide is sourced from PubChem (CID 118412361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).