4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide

C16H16ClNO4S — CID 53209978

IUPAC4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
SMILESCOc1cccc2c1OCC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C16H16ClNO4S/c1-21-15-4-2-3-11-9-13(10-22-16(11)15)18-23(19,20)14-7-5-12(17)6-8-14/h2-8,13,18H,9-10H2,1H3
InChIKeyGVTFQMZLJBRPDZ-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.63
Rot. Bonds4

About 4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide

4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide (PubChem CID 53209978) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
PubChem CID53209978
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
SMILESCOc1cccc2c1OCC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C16H16ClNO4S/c1-21-15-4-2-3-11-9-13(10-22-16(11)15)18-23(19,20)14-7-5-12(17)6-8-14/h2-8,13,18H,9-10H2,1H3
InChIKeyGVTFQMZLJBRPDZ-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide (CID 53209978) is 4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide is COc1cccc2c1OCC(NS(=O)(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide?
The InChIKey is GVTFQMZLJBRPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-21-15-4-2-3-11-9-13(10-22-16(11)15)18-23(19,20)14-7-5-12(17)6-8-14/h2-8,13,18H,9-10H2,1H3.
What are the key properties of 4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide?
4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide has a molecular weight of 353.83 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide is sourced from PubChem (CID 53209978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).