N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide

C17H19BrN2O5S — CID 30148235

IUPACN-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2Br)c(N(C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C17H19BrN2O5S/c1-20(26(4,22)23)14-10-16(25-3)15(24-2)9-11(14)17(21)19-13-8-6-5-7-12(13)18/h5-10H,1-4H3,(H,19,21)
InChIKeyQWNRFBNGUYOQDQ-UHFFFAOYSA-N
MW443.32 g/mol
LogP3.11
Rot. Bonds6

About N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide

N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 30148235) has the molecular formula C17H19BrN2O5S and a molecular weight of 443.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID30148235
Molecular FormulaC17H19BrN2O5S
Molecular Weight443.32 g/mol
Exact Mass442.02
IUPAC NameN-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2Br)c(N(C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C17H19BrN2O5S/c1-20(26(4,22)23)14-10-16(25-3)15(24-2)9-11(14)17(21)19-13-8-6-5-7-12(13)18/h5-10H,1-4H3,(H,19,21)
InChIKeyQWNRFBNGUYOQDQ-UHFFFAOYSA-N
XLogP3.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(2-methoxyphenyl)benzamide
CID 30149122
N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30149936
methyl 5-[[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 28560733
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
N-(2-bromophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1100120
N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide
CID 30148202
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethoxyphenyl)-4,5-dimethoxybenzamide
CID 30151606
4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide
CID 78987938
N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 7311914
methyl 2-[[2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzoyl]amino]-4,5-dimethoxybenzoate
CID 43889533
N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 33142040
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide (CID 30148235) is N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide is COc1cc(C(=O)Nc2ccccc2Br)c(N(C)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is QWNRFBNGUYOQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O5S/c1-20(26(4,22)23)14-10-16(25-3)15(24-2)9-11(14)17(21)19-13-8-6-5-7-12(13)18/h5-10H,1-4H3,(H,19,21).
What are the key properties of N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide?
N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 443.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 30148235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).