N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide

C17H16N2O4S2 — CID 3632329

IUPACN-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H16N2O4S2/c18-24(20,21)16-8-5-13(6-9-16)12-19-25(22,23)17-10-7-14-3-1-2-4-15(14)11-17/h1-11,19H,12H2,(H2,18,20,21)
InChIKeyUIHDMRGWBWRDCP-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.97
Rot. Bonds5

About N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide

N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide (PubChem CID 3632329) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide
PubChem CID3632329
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC NameN-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H16N2O4S2/c18-24(20,21)16-8-5-13(6-9-16)12-19-25(22,23)17-10-7-14-3-1-2-4-15(14)11-17/h1-11,19H,12H2,(H2,18,20,21)
InChIKeyUIHDMRGWBWRDCP-UHFFFAOYSA-N
XLogP1.97
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide (CID 3632329) is N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide is NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide?
The InChIKey is UIHDMRGWBWRDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c18-24(20,21)16-8-5-13(6-9-16)12-19-25(22,23)17-10-7-14-3-1-2-4-15(14)11-17/h1-11,19H,12H2,(H2,18,20,21).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide?
N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide has a molecular weight of 376.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 3632329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).