5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride

C18H19ClN2O2S — CID 69048090

IUPAC5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride
SMILESCc1ccc(CNS(=O)(=O)c2cccc3c(N)cccc23)cc1.Cl
InChIInChI=1S/C18H18N2O2S.ClH/c1-13-8-10-14(11-9-13)12-20-23(21,22)18-7-3-4-15-16(18)5-2-6-17(15)19;/h2-11,20H,12,19H2,1H3;1H
InChIKeyMCCWRIYVMVESGR-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.63
Rot. Bonds4

About 5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride

5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride (PubChem CID 69048090) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride
PubChem CID69048090
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride
SMILESCc1ccc(CNS(=O)(=O)c2cccc3c(N)cccc23)cc1.Cl
InChIInChI=1S/C18H18N2O2S.ClH/c1-13-8-10-14(11-9-13)12-20-23(21,22)18-7-3-4-15-16(18)5-2-6-17(15)19;/h2-11,20H,12,19H2,1H3;1H
InChIKeyMCCWRIYVMVESGR-UHFFFAOYSA-N
XLogP3.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.63
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-tert-butylphenyl)methyl]naphthalene-1-sulfonamide
CID 69050845
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-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 22932490
N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048670
3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 29038629
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763
[5-[[4-(dimethylamino)phenyl]methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate
CID 10128406
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of 5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride (CID 69048090) is 5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for 5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride is Cc1ccc(CNS(=O)(=O)c2cccc3c(N)cccc23)cc1.Cl.
What is the InChIKey of 5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride?
The InChIKey is MCCWRIYVMVESGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S.ClH/c1-13-8-10-14(11-9-13)12-20-23(21,22)18-7-3-4-15-16(18)5-2-6-17(15)19;/h2-11,20H,12,19H2,1H3;1H.
What are the key properties of 5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride?
5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 3.63, 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-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 69048090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).