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

C14H17ClN2O4S — CID 120721014

IUPAC2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
SMILESCl.O=c1ccc2cc(S(=O)(=O)NCC3CCNC3)ccc2o1
InChIInChI=1S/C14H16N2O4S.ClH/c17-14-4-1-11-7-12(2-3-13(11)20-14)21(18,19)16-9-10-5-6-15-8-10;/h1-4,7,10,15-16H,5-6,8-9H2;1H
InChIKeyZAHDZRBEHDLJEP-UHFFFAOYSA-N
MW344.82 g/mol
LogP1.10
Rot. Bonds4

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

2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride (PubChem CID 120721014) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
PubChem CID120721014
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
SMILESCl.O=c1ccc2cc(S(=O)(=O)NCC3CCNC3)ccc2o1
InChIInChI=1S/C14H16N2O4S.ClH/c17-14-4-1-11-7-12(2-3-13(11)20-14)21(18,19)16-9-10-5-6-15-8-10;/h1-4,7,10,15-16H,5-6,8-9H2;1H
InChIKeyZAHDZRBEHDLJEP-UHFFFAOYSA-N
XLogP1.10
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
CID 119968249
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-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
3-cyano-4-fluoro-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720970
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721043
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 2987974

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride?
The IUPAC name of 2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride (CID 120721014) is 2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride.
What is the SMILES notation for 2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride?
The canonical SMILES for 2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride is Cl.O=c1ccc2cc(S(=O)(=O)NCC3CCNC3)ccc2o1.
What is the InChIKey of 2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride?
The InChIKey is ZAHDZRBEHDLJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S.ClH/c17-14-4-1-11-7-12(2-3-13(11)20-14)21(18,19)16-9-10-5-6-15-8-10;/h1-4,7,10,15-16H,5-6,8-9H2;1H.
What are the key properties of 2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride?
2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride has a molecular weight of 344.82 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride is sourced from PubChem (CID 120721014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).