N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H26N2O3S — CID 39667463

IUPACN-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C1CCCCCN1CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H26N2O3S/c21-18-8-2-1-5-12-20(18)13-11-19-24(22,23)17-10-9-15-6-3-4-7-16(15)14-17/h9-10,14,19H,1-8,11-13H2
InChIKeySPSDWRDVCIKPDC-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 39667463) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID39667463
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C1CCCCCN1CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H26N2O3S/c21-18-8-2-1-5-12-20(18)13-11-19-24(22,23)17-10-9-15-6-3-4-7-16(15)14-17/h9-10,14,19H,1-8,11-13H2
InChIKeySPSDWRDVCIKPDC-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide
CID 39667448
3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide
CID 110722868
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113081978
N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90613978
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 34108495
N-(2-pyrrol-1-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716386
2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide
CID 46457679
N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890531
N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride
CID 119994834
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26540045
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890929
4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 39667463) is N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=C1CCCCCN1CCNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is SPSDWRDVCIKPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-18-8-2-1-5-12-20(18)13-11-19-24(22,23)17-10-9-15-6-3-4-7-16(15)14-17/h9-10,14,19H,1-8,11-13H2.
What are the key properties of N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 350.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 39667463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).