N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C19H30N2O3S — CID 8886322

IUPACN-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCCCCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H30N2O3S/c1-3-4-5-7-12-20-19(22)17-11-10-16(2)18(15-17)25(23,24)21-13-8-6-9-14-21/h10-11,15H,3-9,12-14H2,1-2H3,(H,20,22)
InChIKeyOHBNEYCVSYORBG-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.48
Rot. Bonds8

About N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 8886322) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID8886322
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCCCCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H30N2O3S/c1-3-4-5-7-12-20-19(22)17-11-10-16(2)18(15-17)25(23,24)21-13-8-6-9-14-21/h10-11,15H,3-9,12-14H2,1-2H3,(H,20,22)
InChIKeyOHBNEYCVSYORBG-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8919230
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 119448829
N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 18169006
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide
CID 99969242
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8923305
N-[2-(2,2-diethoxyethoxy)ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 99797773

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 8886322) is N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide is CCCCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OHBNEYCVSYORBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-3-4-5-7-12-20-19(22)17-11-10-16(2)18(15-17)25(23,24)21-13-8-6-9-14-21/h10-11,15H,3-9,12-14H2,1-2H3,(H,20,22).
What are the key properties of N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 366.53 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 8886322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).