N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide

C19H15BrClNO4S — CID 6620840

IUPACN-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Br)c3oc4c(c3c2)C(=O)CCC4)ccc1Cl
InChIInChI=1S/C19H15BrClNO4S/c1-10-7-12(5-6-15(10)21)27(24,25)22-11-8-13-18-16(23)3-2-4-17(18)26-19(13)14(20)9-11/h5-9,22H,2-4H2,1H3
InChIKeyUYVMGYMLQUAAIH-UHFFFAOYSA-N
MW468.76 g/mol
LogP5.48
Rot. Bonds3

About N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide

N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide (PubChem CID 6620840) has the molecular formula C19H15BrClNO4S and a molecular weight of 468.76 g/mol. Its IUPAC name is N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide
PubChem CID6620840
Molecular FormulaC19H15BrClNO4S
Molecular Weight468.76 g/mol
Exact Mass466.96
IUPAC NameN-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Br)c3oc4c(c3c2)C(=O)CCC4)ccc1Cl
InChIInChI=1S/C19H15BrClNO4S/c1-10-7-12(5-6-15(10)21)27(24,25)22-11-8-13-18-16(23)3-2-4-17(18)26-19(13)14(20)9-11/h5-9,22H,2-4H2,1H3
InChIKeyUYVMGYMLQUAAIH-UHFFFAOYSA-N
XLogP5.48
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.76
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-2,4,5-trichlorobenzenesulfonamide
CID 25042343
N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-2-methylbenzenesulfonamide
CID 15996493
N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 2946507
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 4826401
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-3-nitrobenzenesulfonamide
CID 2887559
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide
CID 113098713
4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 60650327
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide (CID 6620840) is N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Br)c3oc4c(c3c2)C(=O)CCC4)ccc1Cl.
What is the InChIKey of N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide?
The InChIKey is UYVMGYMLQUAAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO4S/c1-10-7-12(5-6-15(10)21)27(24,25)22-11-8-13-18-16(23)3-2-4-17(18)26-19(13)14(20)9-11/h5-9,22H,2-4H2,1H3.
What are the key properties of N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide?
N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide has a molecular weight of 468.76 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide is sourced from PubChem (CID 6620840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).