N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide

C18H18N2O4S2 — CID 5194103

IUPACN-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H18N2O4S2/c19-25(21,22)16-10-8-14(9-11-16)12-13-20-26(23,24)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,20H,12-13H2,(H2,19,21,22)
InChIKeyPYBNXKUWULHJDS-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.01
Rot. Bonds6

About N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide

N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide (PubChem CID 5194103) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide
PubChem CID5194103
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H18N2O4S2/c19-25(21,22)16-10-8-14(9-11-16)12-13-20-26(23,24)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,20H,12-13H2,(H2,19,21,22)
InChIKeyPYBNXKUWULHJDS-UHFFFAOYSA-N
XLogP2.01
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 2551997
3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 2952489
2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide
CID 39792284
5-(benzenesulfonyl)-2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 57430146
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 81241265
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 4852522
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide (CID 5194103) is N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is PYBNXKUWULHJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c19-25(21,22)16-10-8-14(9-11-16)12-13-20-26(23,24)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,20H,12-13H2,(H2,19,21,22).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide?
N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 390.49 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 5194103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).