N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C21H24N2O3S — CID 7636293

IUPACN-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C1CCCCN1c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C21H24N2O3S/c24-21-10-3-4-13-23(21)19-9-5-8-18(15-19)22-27(25,26)20-12-11-16-6-1-2-7-17(16)14-20/h5,8-9,11-12,14-15,22H,1-4,6-7,10,13H2
InChIKeyXPABMKNNUYFXTM-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.88
Rot. Bonds4

About N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 7636293) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID7636293
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C1CCCCN1c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C21H24N2O3S/c24-21-10-3-4-13-23(21)19-9-5-8-18(15-19)22-27(25,26)20-12-11-16-6-1-2-7-17(16)14-20/h5,8-9,11-12,14-15,22H,1-4,6-7,10,13H2
InChIKeyXPABMKNNUYFXTM-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7635947
4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636285
2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636299
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 8841908
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8841856
4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 39837582
4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 49187272
N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636261
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870
5-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636296
dimethyl 5-[[3-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 26268468

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 7636293) is N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=C1CCCCN1c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is XPABMKNNUYFXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-21-10-3-4-13-23(21)19-9-5-8-18(15-19)22-27(25,26)20-12-11-16-6-1-2-7-17(16)14-20/h5,8-9,11-12,14-15,22H,1-4,6-7,10,13H2.
What are the key properties of N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 7636293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).