3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide

C16H17BrN2O3S — CID 34735400

IUPAC3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESC[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O3S/c1-11(12-6-8-15(9-7-12)23(18,21)22)19(2)16(20)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H2,18,21,22)/t11-/m1/s1
InChIKeyLTMVAVINKMLQAE-LLVKDONJSA-N
MW397.29 g/mol
LogP2.93
Rot. Bonds4

About 3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide

3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 34735400) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID34735400
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC Name3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESC[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O3S/c1-11(12-6-8-15(9-7-12)23(18,21)22)19(2)16(20)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H2,18,21,22)/t11-/m1/s1
InChIKeyLTMVAVINKMLQAE-LLVKDONJSA-N
XLogP2.93
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51254300
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 41113907
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 24612098
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919954
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide
CID 30759506
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide (CID 34735400) is 3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide is C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is LTMVAVINKMLQAE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-11(12-6-8-15(9-7-12)23(18,21)22)19(2)16(20)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H2,18,21,22)/t11-/m1/s1.
What are the key properties of 3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 397.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 34735400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).