N-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide

C14H22N2O4S2 — CID 167822169

IUPACN-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide
SMILESNS(=O)(=O)CCCCNS(=O)(=O)C1CCc2ccccc2C1
InChIInChI=1S/C14H22N2O4S2/c15-21(17,18)10-4-3-9-16-22(19,20)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-6,14,16H,3-4,7-11H2,(H2,15,17,18)
InChIKeyCGBMBZXAZVMSSE-UHFFFAOYSA-N
MW346.47 g/mol
LogP0.53
Rot. Bonds7

About N-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide

N-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide (PubChem CID 167822169) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide
PubChem CID167822169
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC NameN-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide
SMILESNS(=O)(=O)CCCCNS(=O)(=O)C1CCc2ccccc2C1
InChIInChI=1S/C14H22N2O4S2/c15-21(17,18)10-4-3-9-16-22(19,20)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-6,14,16H,3-4,7-11H2,(H2,15,17,18)
InChIKeyCGBMBZXAZVMSSE-UHFFFAOYSA-N
XLogP0.53
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide (CID 167822169) is N-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide is NS(=O)(=O)CCCCNS(=O)(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is CGBMBZXAZVMSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c15-21(17,18)10-4-3-9-16-22(19,20)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-6,14,16H,3-4,7-11H2,(H2,15,17,18).
What are the key properties of N-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide?
N-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 346.47 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylbutyl)-1,2,3,4-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 167822169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).