4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide

C16H12ClNO4S — CID 110734310

IUPAC4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
SMILESCc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C16H12ClNO4S/c1-10-8-16(19)22-15-9-12(4-7-14(10)15)18-23(20,21)13-5-2-11(17)3-6-13/h2-9,18H,1H3
InChIKeyDMQUQWMWUPREIS-UHFFFAOYSA-N
MW349.80 g/mol
LogP3.56
Rot. Bonds3

About 4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide

4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide (PubChem CID 110734310) has the molecular formula C16H12ClNO4S and a molecular weight of 349.80 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
PubChem CID110734310
Molecular FormulaC16H12ClNO4S
Molecular Weight349.80 g/mol
Exact Mass349.02
IUPAC Name4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
SMILESCc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C16H12ClNO4S/c1-10-8-16(19)22-15-9-12(4-7-14(10)15)18-23(20,21)13-5-2-11(17)3-6-13/h2-9,18H,1H3
InChIKeyDMQUQWMWUPREIS-UHFFFAOYSA-N
XLogP3.56
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene
CID 110734309
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2098370
1-(4-methyl-2-oxochromen-7-yl)-3-[4-(methylsulfamoyl)phenyl]thiourea
CID 19680130
3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide
CID 3314791
4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide
CID 18568820
N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane
CID 178026568
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide
CID 3863593
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
7-anilino-4-methylchromen-2-one
CID 804341

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide (CID 110734310) is 4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide is Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc12.
What is the InChIKey of 4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide?
The InChIKey is DMQUQWMWUPREIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4S/c1-10-8-16(19)22-15-9-12(4-7-14(10)15)18-23(20,21)13-5-2-11(17)3-6-13/h2-9,18H,1H3.
What are the key properties of 4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide?
4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide has a molecular weight of 349.80 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide is sourced from PubChem (CID 110734310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).