N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H18N2O3S — CID 7096324

IUPACN-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C17H18N2O3S/c18-23(21,22)16-9-7-15(8-10-16)19-17(20)14-6-5-12-3-1-2-4-13(12)11-14/h5-11H,1-4H2,(H,19,20)(H2,18,21,22)
InChIKeyYKBPBJFIMIJLHK-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.47
Rot. Bonds3

About N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 7096324) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID7096324
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C17H18N2O3S/c18-23(21,22)16-9-7-15(8-10-16)19-17(20)14-6-5-12-3-1-2-4-13(12)11-14/h5-11H,1-4H2,(H,19,20)(H2,18,21,22)
InChIKeyYKBPBJFIMIJLHK-UHFFFAOYSA-N
XLogP2.47
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
2,2'-Dithiobis-(N-(4-sulfamoylphenyl)-benzamide)
CID 375084
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-Sulfanilyl-3,4-xylamide
CID 67118
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
4-tert-butyl-N-(3-sulfamoylphenyl)benzamide
CID 2812911
N-{4-[(benzylamino)sulfonyl]-1-naphthyl}benzamide
CID 11270007
4-[(1,4-Dioxo-2-naphthalenyl)amino]benzenesulfonamide
CID 12387471
4-(1,3-Dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide
CID 1124687
4-[(3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino]benzenesulfonamide
CID 367783
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 7096324) is N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is YKBPBJFIMIJLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c18-23(21,22)16-9-7-15(8-10-16)19-17(20)14-6-5-12-3-1-2-4-13(12)11-14/h5-11H,1-4H2,(H,19,20)(H2,18,21,22).
What are the key properties of N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 7096324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).