5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride

C17H23ClN2O2S — CID 22932490

IUPAC5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride
SMILESCl.Nc1cccc2c(S(=O)(=O)NCC3CCCCC3)cccc12
InChIInChI=1S/C17H22N2O2S.ClH/c18-16-10-4-9-15-14(16)8-5-11-17(15)22(20,21)19-12-13-6-2-1-3-7-13;/h4-5,8-11,13,19H,1-3,6-7,12,18H2;1H
InChIKeyRQKYXYZZYQKIQO-UHFFFAOYSA-N
MW354.90 g/mol
LogP3.70
Rot. Bonds4

About 5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride

5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride (PubChem CID 22932490) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is 5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride
PubChem CID22932490
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC Name5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride
SMILESCl.Nc1cccc2c(S(=O)(=O)NCC3CCCCC3)cccc12
InChIInChI=1S/C17H22N2O2S.ClH/c18-16-10-4-9-15-14(16)8-5-11-17(15)22(20,21)19-12-13-6-2-1-3-7-13;/h4-5,8-11,13,19H,1-3,6-7,12,18H2;1H
InChIKeyRQKYXYZZYQKIQO-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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

N-[5-(cyclohexylmethylsulfamoyl)naphthalen-1-yl]acetamide
CID 69047545
3-amino-N-(cyclopentylmethyl)-2-nitrobenzenesulfonamide
CID 115993381
5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide
CID 104850349
N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide
CID 43455192
5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride
CID 69048090
5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 104859207
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529
5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide
CID 69050845
3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343158
3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide
CID 79888817

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of 5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride (CID 22932490) is 5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for 5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride is Cl.Nc1cccc2c(S(=O)(=O)NCC3CCCCC3)cccc12.
What is the InChIKey of 5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride?
The InChIKey is RQKYXYZZYQKIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S.ClH/c18-16-10-4-9-15-14(16)8-5-11-17(15)22(20,21)19-12-13-6-2-1-3-7-13;/h4-5,8-11,13,19H,1-3,6-7,12,18H2;1H.
What are the key properties of 5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride?
5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride has a molecular weight of 354.90 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 22932490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).