N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide

C19H14BrCl3N2O3S — CID 23515232

IUPACN-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Oc3cncc(Cl)c3)c(C)c2Br)c(Cl)cc1Cl
InChIInChI=1S/C19H14BrCl3N2O3S/c1-10-5-18(15(23)7-14(10)22)29(26,27)25-16-3-4-17(11(2)19(16)20)28-13-6-12(21)8-24-9-13/h3-9,25H,1-2H3
InChIKeyBBIVSYNLDAOYSJ-UHFFFAOYSA-N
MW536.66 g/mol
LogP7.01
Rot. Bonds5

About N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide

N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide (PubChem CID 23515232) has the molecular formula C19H14BrCl3N2O3S and a molecular weight of 536.66 g/mol. Its IUPAC name is N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide
PubChem CID23515232
Molecular FormulaC19H14BrCl3N2O3S
Molecular Weight536.66 g/mol
Exact Mass533.90
IUPAC NameN-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Oc3cncc(Cl)c3)c(C)c2Br)c(Cl)cc1Cl
InChIInChI=1S/C19H14BrCl3N2O3S/c1-10-5-18(15(23)7-14(10)22)29(26,27)25-16-3-4-17(11(2)19(16)20)28-13-6-12(21)8-24-9-13/h3-9,25H,1-2H3
InChIKeyBBIVSYNLDAOYSJ-UHFFFAOYSA-N
XLogP7.01
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.66
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide
CID 21357756
5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]benzamide
CID 69150759
2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 158112111
5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide
CID 103287831
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341
5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
CID 59066721
N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane
CID 162078078
2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
CID 71525044
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]pyridine-3-sulfonamide
CID 23515243
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide?
The IUPAC name of N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide (CID 23515232) is N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide?
The canonical SMILES for N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Oc3cncc(Cl)c3)c(C)c2Br)c(Cl)cc1Cl.
What is the InChIKey of N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide?
The InChIKey is BBIVSYNLDAOYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrCl3N2O3S/c1-10-5-18(15(23)7-14(10)22)29(26,27)25-16-3-4-17(11(2)19(16)20)28-13-6-12(21)8-24-9-13/h3-9,25H,1-2H3.
What are the key properties of N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide?
N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide has a molecular weight of 536.66 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide is sourced from PubChem (CID 23515232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).