4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide

C17H22N2O3S — CID 120725200

IUPAC4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCNCC2C)c2ccccc12
InChIInChI=1S/C17H22N2O3S/c1-12-11-18-10-9-15(12)19-23(20,21)17-8-7-16(22-2)13-5-3-4-6-14(13)17/h3-8,12,15,18-19H,9-11H2,1-2H3
InChIKeyKIIHIUQJIXDQMU-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.12
Rot. Bonds4

About 4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide

4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide (PubChem CID 120725200) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide
PubChem CID120725200
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCNCC2C)c2ccccc12
InChIInChI=1S/C17H22N2O3S/c1-12-11-18-10-9-15(12)19-23(20,21)17-8-7-16(22-2)13-5-3-4-6-14(13)17/h3-8,12,15,18-19H,9-11H2,1-2H3
InChIKeyKIIHIUQJIXDQMU-UHFFFAOYSA-N
XLogP2.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide
CID 120722933
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133
2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 129467888
N-cyclopentyl-4-methoxynaphthalene-1-sulfonamide
CID 7314514
2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724939
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724693
3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120725164
2,4,6-trimethoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120876553
4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide
CID 55691636
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 124516977
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide?
The IUPAC name of 4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide (CID 120725200) is 4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide is COc1ccc(S(=O)(=O)NC2CCNCC2C)c2ccccc12.
What is the InChIKey of 4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide?
The InChIKey is KIIHIUQJIXDQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12-11-18-10-9-15(12)19-23(20,21)17-8-7-16(22-2)13-5-3-4-6-14(13)17/h3-8,12,15,18-19H,9-11H2,1-2H3.
What are the key properties of 4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide?
4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 120725200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).