5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide

C21H24N2O2S — CID 69050845

IUPAC5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide
SMILESCC(C)(C)c1ccc(CNS(=O)(=O)c2cccc3c(N)cccc23)cc1
InChIInChI=1S/C21H24N2O2S/c1-21(2,3)16-12-10-15(11-13-16)14-23-26(24,25)20-9-5-6-17-18(20)7-4-8-19(17)22/h4-13,23H,14,22H2,1-3H3
InChIKeyCDKCZTMFYJCLOH-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.20
Rot. Bonds4

About 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide

5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide (PubChem CID 69050845) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide
PubChem CID69050845
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide
SMILESCC(C)(C)c1ccc(CNS(=O)(=O)c2cccc3c(N)cccc23)cc1
InChIInChI=1S/C21H24N2O2S/c1-21(2,3)16-12-10-15(11-13-16)14-23-26(24,25)20-9-5-6-17-18(20)7-4-8-19(17)22/h4-13,23H,14,22H2,1-3H3
InChIKeyCDKCZTMFYJCLOH-UHFFFAOYSA-N
XLogP4.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride
CID 69048090
5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide
CID 69046746
5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 69048106
5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide
CID 69058380
4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
CID 9150177
5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048670
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 22932490
N-[(4-tert-butylphenyl)methyl]-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 118200173
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide (CID 69050845) is 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide is CC(C)(C)c1ccc(CNS(=O)(=O)c2cccc3c(N)cccc23)cc1.
What is the InChIKey of 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide?
The InChIKey is CDKCZTMFYJCLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-21(2,3)16-12-10-15(11-13-16)14-23-26(24,25)20-9-5-6-17-18(20)7-4-8-19(17)22/h4-13,23H,14,22H2,1-3H3.
What are the key properties of 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide?
5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide has a molecular weight of 368.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 69050845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).