4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide

C19H20N2O2S — CID 4718107

IUPAC4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H20N2O2S/c20-24(22,23)18-10-8-15(9-11-18)12-13-21-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,21H,12-14H2,(H2,20,22,23)
InChIKeyVXZRQQMOCBAJCN-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.82
Rot. Bonds6

About 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide

4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide (PubChem CID 4718107) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide
PubChem CID4718107
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H20N2O2S/c20-24(22,23)18-10-8-15(9-11-18)12-13-21-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,21H,12-14H2,(H2,20,22,23)
InChIKeyVXZRQQMOCBAJCN-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-((Benzylamino)methyl)-2-naphthalenethiol
CID 255831
2-(Benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole
CID 155557005
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide
CID 583321
N-benzyl-4-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]benzenesulfonamide
CID 44523667
Naphthalene-2-sulfonic acid (4-{[(1,2,3,4-tetrahydro-naphthalen-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-amide
CID 9806472
Naphthalene-2-sulfonic acid (4-{[(naphthalen-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-amide
CID 10005032
N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10111743
N-(2-((3-(4-(aminomethyl)phenyl)propyl)(methyl)amino)ethyl)naphthalene-2-sulfonamide
CID 10112313
N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)naphthalene-2-sulfonamide
CID 10294248
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]naphthalene-1-sulfonamide
CID 11560285
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]naphthalene-2-sulfonamide
CID 11610908
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide
CID 11674602

Frequently Asked Questions

What is the IUPAC name of 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide (CID 4718107) is 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNCc2cccc3ccccc23)cc1.
What is the InChIKey of 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide?
The InChIKey is VXZRQQMOCBAJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c20-24(22,23)18-10-8-15(9-11-18)12-13-21-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,21H,12-14H2,(H2,20,22,23).
What are the key properties of 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide?
4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 4718107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).