N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide

C16H17BrN2O3S — CID 100785831

IUPACN-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrN2O3S/c1-3-23(21,22)19(2)15-9-4-6-12(10-15)16(20)18-14-8-5-7-13(17)11-14/h4-11H,3H2,1-2H3,(H,18,20)
InChIKeyZADGOXZHCUSMQM-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.49
Rot. Bonds5

About N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide

N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide (PubChem CID 100785831) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide
PubChem CID100785831
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrN2O3S/c1-3-23(21,22)19(2)15-9-4-6-12(10-15)16(20)18-14-8-5-7-13(17)11-14/h4-11H,3H2,1-2H3,(H,18,20)
InChIKeyZADGOXZHCUSMQM-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 8991381
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562
3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide
CID 100785734
4-tert-butyl-N-[3-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]phenyl]benzamide
CID 99956067
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-(3-bromophenyl)-4-(diethylamino)benzamide
CID 690499
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide
CID 100786033
N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide
CID 1241654
N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide
CID 41148003
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide
CID 58337764

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide?
The IUPAC name of N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide (CID 100785831) is N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide?
The canonical SMILES for N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide is CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide?
The InChIKey is ZADGOXZHCUSMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-3-23(21,22)19(2)15-9-4-6-12(10-15)16(20)18-14-8-5-7-13(17)11-14/h4-11H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide?
N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide has a molecular weight of 397.29 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide is sourced from PubChem (CID 100785831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).