N-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide

C20H21NO2S — CID 735905

IUPACN-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H21NO2S/c1-16(2)21(15-17-8-4-3-5-9-17)24(22,23)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16H,15H2,1-2H3
InChIKeyYSKJKRDGHBWSAQ-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.44
Rot. Bonds5

About N-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide

N-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide (PubChem CID 735905) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide
PubChem CID735905
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC NameN-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H21NO2S/c1-16(2)21(15-17-8-4-3-5-9-17)24(22,23)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16H,15H2,1-2H3
InChIKeyYSKJKRDGHBWSAQ-UHFFFAOYSA-N
XLogP4.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide?
The IUPAC name of N-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide (CID 735905) is N-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide?
The canonical SMILES for N-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide?
The InChIKey is YSKJKRDGHBWSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-16(2)21(15-17-8-4-3-5-9-17)24(22,23)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16H,15H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide?
N-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-ylnaphthalene-2-sulfonamide is sourced from PubChem (CID 735905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).