N,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide

C25H27Br2NO2S — CID 100992494

IUPACN,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cc(C)c(Br)cc2C)Cc2cc(C)c(Br)cc2C)cc1
InChIInChI=1S/C25H27Br2NO2S/c1-16-6-8-23(9-7-16)31(29,30)28(14-21-10-19(4)24(26)12-17(21)2)15-22-11-20(5)25(27)13-18(22)3/h6-13H,14-15H2,1-5H3
InChIKeyNGRQADUSAROKJC-UHFFFAOYSA-N
MW565.37 g/mol
LogP7.14
Rot. Bonds6

About N,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide

N,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 100992494) has the molecular formula C25H27Br2NO2S and a molecular weight of 565.37 g/mol. Its IUPAC name is N,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID100992494
Molecular FormulaC25H27Br2NO2S
Molecular Weight565.37 g/mol
Exact Mass563.01
IUPAC NameN,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cc(C)c(Br)cc2C)Cc2cc(C)c(Br)cc2C)cc1
InChIInChI=1S/C25H27Br2NO2S/c1-16-6-8-23(9-7-16)31(29,30)28(14-21-10-19(4)24(26)12-17(21)2)15-22-11-20(5)25(27)13-18(22)3/h6-13H,14-15H2,1-5H3
InChIKeyNGRQADUSAROKJC-UHFFFAOYSA-N
XLogP7.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.37
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N,N-bis(sulfanylmethyl)benzenesulfonamide
CID 122393288
N-benzyl-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1149817
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 63420834
2-(4-bromo-3-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid
CID 28590060
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
CID 58466455
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
4-[[(4-carboxyphenyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 123408853
4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
CID 60707695
N,N-bis(7-bromoheptyl)-4-methylbenzenesulfonamide
CID 10673655
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
CID 122457492

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide (CID 100992494) is N,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2cc(C)c(Br)cc2C)Cc2cc(C)c(Br)cc2C)cc1.
What is the InChIKey of N,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is NGRQADUSAROKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Br2NO2S/c1-16-6-8-23(9-7-16)31(29,30)28(14-21-10-19(4)24(26)12-17(21)2)15-22-11-20(5)25(27)13-18(22)3/h6-13H,14-15H2,1-5H3.
What are the key properties of N,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide?
N,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 565.37 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-bromo-2,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 100992494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).