2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride

C15H19ClN2O4S — CID 119968249

IUPAC2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
SMILESCl.O=c1ccc2cc(S(=O)(=O)NCC3CCCNC3)ccc2o1
InChIInChI=1S/C15H18N2O4S.ClH/c18-15-6-3-12-8-13(4-5-14(12)21-15)22(19,20)17-10-11-2-1-7-16-9-11;/h3-6,8,11,16-17H,1-2,7,9-10H2;1H
InChIKeyDPOFGGVACBNJNY-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.49
Rot. Bonds4

About 2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride

2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride (PubChem CID 119968249) has the molecular formula C15H19ClN2O4S and a molecular weight of 358.85 g/mol. Its IUPAC name is 2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
PubChem CID119968249
Molecular FormulaC15H19ClN2O4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC Name2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
SMILESCl.O=c1ccc2cc(S(=O)(=O)NCC3CCCNC3)ccc2o1
InChIInChI=1S/C15H18N2O4S.ClH/c18-15-6-3-12-8-13(4-5-14(12)21-15)22(19,20)17-10-11-2-1-7-16-9-11;/h3-6,8,11,16-17H,1-2,7,9-10H2;1H
InChIKeyDPOFGGVACBNJNY-UHFFFAOYSA-N
XLogP1.49
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
CID 120721014
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
4-bromo-3-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968667
3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968615
2-oxo-N-piperidin-4-ylchromene-6-sulfonamide
CID 43603317
N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide
CID 120724998
N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
CID 62664267
4-chloro-3-cyano-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968407
4-fluoro-N-[[(3S)-piperidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 124698032
N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119968503
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride?
The IUPAC name of 2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride (CID 119968249) is 2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride.
What is the SMILES notation for 2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride?
The canonical SMILES for 2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride is Cl.O=c1ccc2cc(S(=O)(=O)NCC3CCCNC3)ccc2o1.
What is the InChIKey of 2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride?
The InChIKey is DPOFGGVACBNJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S.ClH/c18-15-6-3-12-8-13(4-5-14(12)21-15)22(19,20)17-10-11-2-1-7-16-9-11;/h3-6,8,11,16-17H,1-2,7,9-10H2;1H.
What are the key properties of 2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride?
2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride has a molecular weight of 358.85 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride is sourced from PubChem (CID 119968249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).