N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride

C14H19ClN2O2S — CID 119964824

IUPACN-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C14H18N2O2S.ClH/c1-15-9-4-10-16-19(17,18)14-8-7-12-5-2-3-6-13(12)11-14;/h2-3,5-8,11,15-16H,4,9-10H2,1H3;1H
InChIKeyGFNPDQJPTLCPBZ-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.15
Rot. Bonds6

About N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride

N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride (PubChem CID 119964824) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
PubChem CID119964824
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC NameN-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C14H18N2O2S.ClH/c1-15-9-4-10-16-19(17,18)14-8-7-12-5-2-3-6-13(12)11-14;/h2-3,5-8,11,15-16H,4,9-10H2,1H3;1H
InChIKeyGFNPDQJPTLCPBZ-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.15
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

N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-nonylnaphthalene-2-sulfonamide
CID 19681387
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965124
N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide
CID 55663765
hexadecyl-dimethyl-[3-(naphthalen-2-ylsulfonylamino)propyl]azanium
CID 171341490
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium
CID 2459418

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride (CID 119964824) is N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride is CNCCCNS(=O)(=O)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride?
The InChIKey is GFNPDQJPTLCPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S.ClH/c1-15-9-4-10-16-19(17,18)14-8-7-12-5-2-3-6-13(12)11-14;/h2-3,5-8,11,15-16H,4,9-10H2,1H3;1H.
What are the key properties of N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride?
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride has a molecular weight of 314.84 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119964824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).