N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide

C22H21BrN2O3S — CID 1326540

IUPACN-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccc(CN(c2ccc(C(=O)Nc3ccccc3Br)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H21BrN2O3S/c1-16-7-9-17(10-8-16)15-25(29(2,27)28)19-13-11-18(12-14-19)22(26)24-21-6-4-3-5-20(21)23/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyNWPIKHRMMDTOJJ-UHFFFAOYSA-N
MW473.39 g/mol
LogP4.98
Rot. Bonds6

About N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide

N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 1326540) has the molecular formula C22H21BrN2O3S and a molecular weight of 473.39 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
PubChem CID1326540
Molecular FormulaC22H21BrN2O3S
Molecular Weight473.39 g/mol
Exact Mass472.05
IUPAC NameN-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccc(CN(c2ccc(C(=O)Nc3ccccc3Br)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H21BrN2O3S/c1-16-7-9-17(10-8-16)15-25(29(2,27)28)19-13-11-18(12-14-19)22(26)24-21-6-4-3-5-20(21)23/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyNWPIKHRMMDTOJJ-UHFFFAOYSA-N
XLogP4.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide
CID 982641
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23761147
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912
N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 91671619
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1290601
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide
CID 1363267
2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide
CID 23821515
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
CID 1298506
N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1357728
N-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126032398
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2,5-dimethylphenyl)benzamide
CID 2884397
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126031320

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide (CID 1326540) is N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide is Cc1ccc(CN(c2ccc(C(=O)Nc3ccccc3Br)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is NWPIKHRMMDTOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3S/c1-16-7-9-17(10-8-16)15-25(29(2,27)28)19-13-11-18(12-14-19)22(26)24-21-6-4-3-5-20(21)23/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 473.39 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 1326540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).