N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide

C21H23NO2S — CID 3780847

IUPACN-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide
SMILESCC(C)(C)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H23NO2S/c1-21(2,3)19-11-8-16(9-12-19)15-22-25(23,24)20-13-10-17-6-4-5-7-18(17)14-20/h4-14,22H,15H2,1-3H3
InChIKeyDIIQOPSZCORXRW-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.62
Rot. Bonds4

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

N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide (PubChem CID 3780847) has the molecular formula C21H23NO2S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide
PubChem CID3780847
Molecular FormulaC21H23NO2S
Molecular Weight353.49 g/mol
Exact Mass353.14
IUPAC NameN-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide
SMILESCC(C)(C)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H23NO2S/c1-21(2,3)19-11-8-16(9-12-19)15-22-25(23,24)20-13-10-17-6-4-5-7-18(17)14-20/h4-14,22H,15H2,1-3H3
InChIKeyDIIQOPSZCORXRW-UHFFFAOYSA-N
XLogP4.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
CID 9324257
4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
CID 9150177
N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide
CID 8574875
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[(4-tert-butylphenyl)methyl]-1-oxidopyridin-1-ium-3-sulfonamide
CID 154584822
N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide
CID 55729077
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 8573229
N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
CID 3742341
N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide
CID 65112958
N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide
CID 68703244
N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide
CID 103836737
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide (CID 3780847) is N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide is CC(C)(C)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide?
The InChIKey is DIIQOPSZCORXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2S/c1-21(2,3)19-11-8-16(9-12-19)15-22-25(23,24)20-13-10-17-6-4-5-7-18(17)14-20/h4-14,22H,15H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide?
N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide has a molecular weight of 353.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 3780847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).