N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride

C17H23ClN2O2S — CID 119986179

IUPACN-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride
SMILESCl.NCC1CCCCC1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O2S.ClH/c18-12-14-7-2-4-10-16(14)19-22(20,21)17-11-5-8-13-6-1-3-9-15(13)17;/h1,3,5-6,8-9,11,14,16,19H,2,4,7,10,12,18H2;1H
InChIKeyLRLJDULFUZTBKK-UHFFFAOYSA-N
MW354.90 g/mol
LogP3.06
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride (PubChem CID 119986179) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride
PubChem CID119986179
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride
SMILESCl.NCC1CCCCC1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O2S.ClH/c18-12-14-7-2-4-10-16(14)19-22(20,21)17-11-5-8-13-6-1-3-9-15(13)17;/h1,3,5-6,8-9,11,14,16,19H,2,4,7,10,12,18H2;1H
InChIKeyLRLJDULFUZTBKK-UHFFFAOYSA-N
XLogP3.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide
CID 104922343
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
trans-(1R,2R)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
CID 97001354
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120711198
trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
CID 97001353
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-cyclohexylnaphthalene-1-sulfonamide
CID 3812052
N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119985718
N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride
CID 120711063
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711069
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
N-[(2-aminocyclopentyl)methyl]naphthalene-1-sulfonamide
CID 115752311

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride (CID 119986179) is N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride is Cl.NCC1CCCCC1NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride?
The InChIKey is LRLJDULFUZTBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S.ClH/c18-12-14-7-2-4-10-16(14)19-22(20,21)17-11-5-8-13-6-1-3-9-15(13)17;/h1,3,5-6,8-9,11,14,16,19H,2,4,7,10,12,18H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride has a molecular weight of 354.90 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119986179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).