N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide

C15H12ClNO4S2 — CID 31534598

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H12ClNO4S2/c1-17(9-11-3-6-14(16)22-11)23(19,20)12-4-5-13-10(8-12)2-7-15(18)21-13/h2-8H,9H2,1H3
InChIKeyKZNUWXLUVOYLEK-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.33
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide (PubChem CID 31534598) has the molecular formula C15H12ClNO4S2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide
PubChem CID31534598
Molecular FormulaC15H12ClNO4S2
Molecular Weight369.85 g/mol
Exact Mass368.99
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H12ClNO4S2/c1-17(9-11-3-6-14(16)22-11)23(19,20)12-4-5-13-10(8-12)2-7-15(18)21-13/h2-8H,9H2,1H3
InChIKeyKZNUWXLUVOYLEK-UHFFFAOYSA-N
XLogP3.33
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide (CID 31534598) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide is CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide?
The InChIKey is KZNUWXLUVOYLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4S2/c1-17(9-11-3-6-14(16)22-11)23(19,20)12-4-5-13-10(8-12)2-7-15(18)21-13/h2-8H,9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide has a molecular weight of 369.85 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 31534598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).