N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide

C21H26N2O4S2 — CID 16575083

IUPACN-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C21H26N2O4S2/c1-16(2)23-28(24,25)15-20-10-6-5-9-19(20)14-22-29(26,27)21-12-11-17-7-3-4-8-18(17)13-21/h3-10,13,16,22-23H,11-12,14-15H2,1-2H3
InChIKeyWLWDRBSEZCTLER-UHFFFAOYSA-N
MW434.58 g/mol
LogP2.92
Rot. Bonds8

About N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide

N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 16575083) has the molecular formula C21H26N2O4S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID16575083
Molecular FormulaC21H26N2O4S2
Molecular Weight434.58 g/mol
Exact Mass434.13
IUPAC NameN-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C21H26N2O4S2/c1-16(2)23-28(24,25)15-20-10-6-5-9-19(20)14-22-29(26,27)21-12-11-17-7-3-4-8-18(17)13-21/h3-10,13,16,22-23H,11-12,14-15H2,1-2H3
InChIKeyWLWDRBSEZCTLER-UHFFFAOYSA-N
XLogP2.92
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide (CID 16575083) is N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide is CC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is WLWDRBSEZCTLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S2/c1-16(2)23-28(24,25)15-20-10-6-5-9-19(20)14-22-29(26,27)21-12-11-17-7-3-4-8-18(17)13-21/h3-10,13,16,22-23H,11-12,14-15H2,1-2H3.
What are the key properties of N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 434.58 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 16575083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).