2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide

C17H19BrN2O3S — CID 34889810

IUPAC2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-3-12-4-6-13(7-5-12)11-20(2)17(21)15-10-14(24(19,22)23)8-9-16(15)18/h4-10H,3,11H2,1-2H3,(H2,19,22,23)
InChIKeyVMCRARXGIQJQDB-UHFFFAOYSA-N
MW411.32 g/mol
LogP2.93
Rot. Bonds5

About 2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide

2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide (PubChem CID 34889810) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide
PubChem CID34889810
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-3-12-4-6-13(7-5-12)11-20(2)17(21)15-10-14(24(19,22)23)8-9-16(15)18/h4-10H,3,11H2,1-2H3,(H2,19,22,23)
InChIKeyVMCRARXGIQJQDB-UHFFFAOYSA-N
XLogP2.93
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 7601402
2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47163482
N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide
CID 31798884
2-bromo-N,N-diethyl-5-sulfamoylbenzamide
CID 47101234
N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546841
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 55653157
ethyl 2-bromo-5-sulfamoylbenzoate
CID 43828339
2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide
CID 65388515
5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 39912911
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546886
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide (CID 34889810) is 2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide is CCc1ccc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide?
The InChIKey is VMCRARXGIQJQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-3-12-4-6-13(7-5-12)11-20(2)17(21)15-10-14(24(19,22)23)8-9-16(15)18/h4-10H,3,11H2,1-2H3,(H2,19,22,23).
What are the key properties of 2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide?
2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide has a molecular weight of 411.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 34889810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).