N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide

C21H24N2O2S — CID 3863600

IUPACN-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C21H24N2O2S/c1-4-23(5-2)18-13-14-20(16(3)15-18)22-26(24,25)21-12-8-10-17-9-6-7-11-19(17)21/h6-15,22H,4-5H2,1-3H3
InChIKeyABFAOFIJRXQGOJ-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.80
Rot. Bonds6

About N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide

N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide (PubChem CID 3863600) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide
PubChem CID3863600
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C21H24N2O2S/c1-4-23(5-2)18-13-14-20(16(3)15-18)22-26(24,25)21-12-8-10-17-9-6-7-11-19(17)21/h6-15,22H,4-5H2,1-3H3
InChIKeyABFAOFIJRXQGOJ-UHFFFAOYSA-N
XLogP4.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide
CID 56603939
4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide
CID 1020031
N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113098997
3-[[4-(diethylamino)-2-methylphenyl]sulfamoyl]benzoic acid
CID 25043576
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide
CID 3535359
N-[4-(diethylamino)phenyl]-5-methylnaphthalene-1-sulfonamide;ethane;methanamine
CID 159733442
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 113001706
N-(4-methyl-3-pyridinyl)naphthalene-1-sulfonamide
CID 115685376
N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53041590
N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
CID 139947697
4-[[4-[bis(4-methylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;naphthalene-1-sulfonic acid
CID 90760054
N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide
CID 3666979

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide (CID 3863600) is N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2cccc3ccccc23)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide?
The InChIKey is ABFAOFIJRXQGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-4-23(5-2)18-13-14-20(16(3)15-18)22-26(24,25)21-12-8-10-17-9-6-7-11-19(17)21/h6-15,22H,4-5H2,1-3H3.
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide?
N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide has a molecular weight of 368.50 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3863600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).