[6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide

C19H14ClF2NO4S2 — CID 18188588

IUPAC[6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1ccc(Cl)s1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C19H14ClF2NO4S2/c20-16-7-6-15(28-16)18-12-8-10(9-29(23,24)25)4-5-11(12)17-13(26-18)2-1-3-14(17)27-19(21)22/h1-8,18-19H,9H2,(H2,23,24,25)
InChIKeyRXNZDCBURYGIAM-UHFFFAOYSA-N
MW457.91 g/mol
LogP4.94
Rot. Bonds5

About [6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide

[6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188588) has the molecular formula C19H14ClF2NO4S2 and a molecular weight of 457.91 g/mol. Its IUPAC name is [6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188588
Molecular FormulaC19H14ClF2NO4S2
Molecular Weight457.91 g/mol
Exact Mass457.00
IUPAC Name[6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1ccc(Cl)s1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C19H14ClF2NO4S2/c20-16-7-6-15(28-16)18-12-8-10(9-29(23,24)25)4-5-11(12)17-13(26-18)2-1-3-14(17)27-19(21)22/h1-8,18-19H,9H2,(H2,23,24,25)
InChIKeyRXNZDCBURYGIAM-UHFFFAOYSA-N
XLogP4.94
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188588) is [6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide is NS(=O)(=O)Cc1ccc2c(c1)C(c1ccc(Cl)s1)Oc1cccc(OC(F)F)c1-2.
What is the InChIKey of [6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is RXNZDCBURYGIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO4S2/c20-16-7-6-15(28-16)18-12-8-10(9-29(23,24)25)4-5-11(12)17-13(26-18)2-1-3-14(17)27-19(21)22/h1-8,18-19H,9H2,(H2,23,24,25).
What are the key properties of [6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 457.91 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-chlorothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).