4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide

C22H16ClNO4S — CID 18568820

IUPAC4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide
SMILESCc1ccccc1-c1cc(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2o1
InChIInChI=1S/C22H16ClNO4S/c1-14-4-2-3-5-18(14)22-13-20(25)19-12-16(8-11-21(19)28-22)24-29(26,27)17-9-6-15(23)7-10-17/h2-13,24H,1H3
InChIKeyAJLGSTQUWRWCFT-UHFFFAOYSA-N
MW425.89 g/mol
LogP5.22
Rot. Bonds4

About 4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide

4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide (PubChem CID 18568820) has the molecular formula C22H16ClNO4S and a molecular weight of 425.89 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide
PubChem CID18568820
Molecular FormulaC22H16ClNO4S
Molecular Weight425.89 g/mol
Exact Mass425.05
IUPAC Name4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide
SMILESCc1ccccc1-c1cc(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2o1
InChIInChI=1S/C22H16ClNO4S/c1-14-4-2-3-5-18(14)22-13-20(25)19-12-16(8-11-21(19)28-22)24-29(26,27)17-9-6-15(23)7-10-17/h2-13,24H,1H3
InChIKeyAJLGSTQUWRWCFT-UHFFFAOYSA-N
XLogP5.22
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.89
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide
CID 16801695
4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
CID 110734310
2-(2-methylphenyl)chromen-4-one
CID 776385
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide
CID 16825912
4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
CID 997731
4-fluoro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568714
6-chloro-2-(2-chlorophenyl)chromen-4-one
CID 688872
N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568712
4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 4826401
7-methyl-2-(2-methylphenyl)chromen-4-one
CID 4038144
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide (CID 18568820) is 4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide is Cc1ccccc1-c1cc(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2o1.
What is the InChIKey of 4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide?
The InChIKey is AJLGSTQUWRWCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO4S/c1-14-4-2-3-5-18(14)22-13-20(25)19-12-16(8-11-21(19)28-22)24-29(26,27)17-9-6-15(23)7-10-17/h2-13,24H,1H3.
What are the key properties of 4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide?
4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide has a molecular weight of 425.89 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide is sourced from PubChem (CID 18568820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).