4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide

C19H12ClNO4S2 — CID 142639086

IUPAC4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(Cl)s2)cc1
InChIInChI=1S/C19H12ClNO4S2/c20-16-10-9-15(26-16)17-18(22)13-3-1-2-4-14(13)25-19(17)11-5-7-12(8-6-11)27(21,23)24/h1-10H,(H2,21,23,24)
InChIKeyLHLGIMPCGHYKAC-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.49
Rot. Bonds3

About 4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide

4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide (PubChem CID 142639086) has the molecular formula C19H12ClNO4S2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide
PubChem CID142639086
Molecular FormulaC19H12ClNO4S2
Molecular Weight417.90 g/mol
Exact Mass416.99
IUPAC Name4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(Cl)s2)cc1
InChIInChI=1S/C19H12ClNO4S2/c20-16-10-9-15(26-16)17-18(22)13-3-1-2-4-14(13)25-19(17)11-5-7-12(8-6-11)27(21,23)24/h1-10H,(H2,21,23,24)
InChIKeyLHLGIMPCGHYKAC-UHFFFAOYSA-N
XLogP4.49
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-oxo-3-(2,4,6-trichlorophenyl)chromen-2-yl]benzenesulfonamide
CID 142639381
4-[3-(3-methylphenyl)-4-oxochromen-2-yl]benzenesulfonamide
CID 18324999
3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324974
4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide
CID 142639265
3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 142639106
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324902
3-(4-hydroxyphenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324893
4-[3-(2-fluorophenyl)-4-sulfanylidenechromen-2-yl]benzenesulfonamide
CID 18325029
3-(4-chloro-3-methoxyphenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 142639582
4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide
CID 142639198
4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide
CID 18324892
3-amino-2-(4-aminophenyl)chromen-4-one
CID 10562758

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide (CID 142639086) is 4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(Cl)s2)cc1.
What is the InChIKey of 4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide?
The InChIKey is LHLGIMPCGHYKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO4S2/c20-16-10-9-15(26-16)17-18(22)13-3-1-2-4-14(13)25-19(17)11-5-7-12(8-6-11)27(21,23)24/h1-10H,(H2,21,23,24).
What are the key properties of 4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide?
4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide has a molecular weight of 417.90 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide is sourced from PubChem (CID 142639086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).