N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide

C14H12Br2ClNO3S — CID 169370736

IUPACN-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1c(Br)cc(Cl)c(NS(=O)(=O)c2ccc(C)cc2)c1Br
InChIInChI=1S/C14H12Br2ClNO3S/c1-8-3-5-9(6-4-8)22(19,20)18-13-11(17)7-10(15)14(21-2)12(13)16/h3-7,18H,1-2H3
InChIKeyOEEJAPAJSXCYGM-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.98
Rot. Bonds4

About N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide

N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 169370736) has the molecular formula C14H12Br2ClNO3S and a molecular weight of 469.58 g/mol. Its IUPAC name is N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID169370736
Molecular FormulaC14H12Br2ClNO3S
Molecular Weight469.58 g/mol
Exact Mass466.86
IUPAC NameN-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1c(Br)cc(Cl)c(NS(=O)(=O)c2ccc(C)cc2)c1Br
InChIInChI=1S/C14H12Br2ClNO3S/c1-8-3-5-9(6-4-8)22(19,20)18-13-11(17)7-10(15)14(21-2)12(13)16/h3-7,18H,1-2H3
InChIKeyOEEJAPAJSXCYGM-UHFFFAOYSA-N
XLogP4.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dibromo-6-chloro-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 169371289
N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
N-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370825
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 169370626
N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide
CID 169369916
N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828237
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370068
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide (CID 169370736) is N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide is COc1c(Br)cc(Cl)c(NS(=O)(=O)c2ccc(C)cc2)c1Br.
What is the InChIKey of N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is OEEJAPAJSXCYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClNO3S/c1-8-3-5-9(6-4-8)22(19,20)18-13-11(17)7-10(15)14(21-2)12(13)16/h3-7,18H,1-2H3.
What are the key properties of N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide?
N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 469.58 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).