N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide

C19H28N2O4S — CID 72896002

IUPACN-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCCC2CCCCO2)c1)N1CCCCC1
InChIInChI=1S/C19H28N2O4S/c22-19(21-12-3-1-4-13-21)16-7-6-9-18(15-16)26(23,24)20-11-10-17-8-2-5-14-25-17/h6-7,9,15,17,20H,1-5,8,10-14H2
InChIKeyCJYGWNMMKHLXMQ-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide

N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 72896002) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID72896002
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCCC2CCCCO2)c1)N1CCCCC1
InChIInChI=1S/C19H28N2O4S/c22-19(21-12-3-1-4-13-21)16-7-6-9-18(15-16)26(23,24)20-11-10-17-8-2-5-14-25-17/h6-7,9,15,17,20H,1-5,8,10-14H2
InChIKeyCJYGWNMMKHLXMQ-UHFFFAOYSA-N
XLogP2.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
3-(4-formylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 109063902
3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55822182
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55851242
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063301
ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 43002481
3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 99936530
3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364440
N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063280
3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 72877749

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide (CID 72896002) is N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NCCC2CCCCO2)c1)N1CCCCC1.
What is the InChIKey of N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is CJYGWNMMKHLXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c22-19(21-12-3-1-4-13-21)16-7-6-9-18(15-16)26(23,24)20-11-10-17-8-2-5-14-25-17/h6-7,9,15,17,20H,1-5,8,10-14H2.
What are the key properties of N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide?
N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 72896002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).