N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide

C25H17BrCl3NO2S — CID 171794139

IUPACN-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2-c2ccc(-c3ccc(Cl)cc3)c(Br)c2)cc1
InChIInChI=1S/C25H17BrCl3NO2S/c1-15-2-9-19(10-3-15)33(31,32)30-25-14-24(29)23(28)13-21(25)17-6-11-20(22(26)12-17)16-4-7-18(27)8-5-16/h2-14,30H,1H3
InChIKeyWWDFRKMNYJHMRW-UHFFFAOYSA-N
MW581.75 g/mol
LogP8.85
Rot. Bonds5

About N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide

N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide (PubChem CID 171794139) has the molecular formula C25H17BrCl3NO2S and a molecular weight of 581.75 g/mol. Its IUPAC name is N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide
PubChem CID171794139
Molecular FormulaC25H17BrCl3NO2S
Molecular Weight581.75 g/mol
Exact Mass578.92
IUPAC NameN-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2-c2ccc(-c3ccc(Cl)cc3)c(Br)c2)cc1
InChIInChI=1S/C25H17BrCl3NO2S/c1-15-2-9-19(10-3-15)33(31,32)30-25-14-24(29)23(28)13-21(25)17-6-11-20(22(26)12-17)16-4-7-18(27)8-5-16/h2-14,30H,1H3
InChIKeyWWDFRKMNYJHMRW-UHFFFAOYSA-N
XLogP8.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.75
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide
CID 171793731
N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide
CID 169373249
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide
CID 135075139
N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 3637630
N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide
CID 169370593
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
N-[4-chloro-2-(chloromethyl)phenyl]-4-methylbenzenesulfonamide
CID 163288986

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide (CID 171794139) is N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2-c2ccc(-c3ccc(Cl)cc3)c(Br)c2)cc1.
What is the InChIKey of N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide?
The InChIKey is WWDFRKMNYJHMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrCl3NO2S/c1-15-2-9-19(10-3-15)33(31,32)30-25-14-24(29)23(28)13-21(25)17-6-11-20(22(26)12-17)16-4-7-18(27)8-5-16/h2-14,30H,1H3.
What are the key properties of N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide?
N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide has a molecular weight of 581.75 g/mol, XLogP of 8.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 171794139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).