4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride

C15H18Cl2N2O2S — CID 119960548

IUPAC4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H17ClN2O2S.ClH/c16-14-5-6-15(13-4-2-1-3-12(13)14)21(19,20)18-11-7-9-17-10-8-11;/h1-6,11,17-18H,7-10H2;1H
InChIKeyFXMFERVOEOWZSF-UHFFFAOYSA-N
MW361.29 g/mol
LogP2.95
Rot. Bonds3

About 4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride

4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride (PubChem CID 119960548) has the molecular formula C15H18Cl2N2O2S and a molecular weight of 361.29 g/mol. Its IUPAC name is 4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
PubChem CID119960548
Molecular FormulaC15H18Cl2N2O2S
Molecular Weight361.29 g/mol
Exact Mass360.05
IUPAC Name4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H17ClN2O2S.ClH/c16-14-5-6-15(13-4-2-1-3-12(13)14)21(19,20)18-11-7-9-17-10-8-11;/h1-6,11,17-18H,7-10H2;1H
InChIKeyFXMFERVOEOWZSF-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181
4-chloro-N-(8-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene-1-sulfonamide
CID 91365275
2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 165111784
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112
5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 119960783
2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960534
4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116315
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119978801

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride (CID 119960548) is 4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNCC1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride?
The InChIKey is FXMFERVOEOWZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S.ClH/c16-14-5-6-15(13-4-2-1-3-12(13)14)21(19,20)18-11-7-9-17-10-8-11;/h1-6,11,17-18H,7-10H2;1H.
What are the key properties of 4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride?
4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride has a molecular weight of 361.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119960548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).