N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide

C17H19BrN2O4S — CID 24544465

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C17H19BrN2O4S/c1-11-4-6-14(25(19,22)23)9-15(11)17(21)20(2)10-12-8-13(18)5-7-16(12)24-3/h4-9H,10H2,1-3H3,(H2,19,22,23)
InChIKeyRYKFIEKJEAWTMM-UHFFFAOYSA-N
MW427.32 g/mol
LogP2.69
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide

N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide (PubChem CID 24544465) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
PubChem CID24544465
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C17H19BrN2O4S/c1-11-4-6-14(25(19,22)23)9-15(11)17(21)20(2)10-12-8-13(18)5-7-16(12)24-3/h4-9H,10H2,1-3H3,(H2,19,22,23)
InChIKeyRYKFIEKJEAWTMM-UHFFFAOYSA-N
XLogP2.69
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 32895401
N-[(5-bromo-2-methoxyphenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 31152479
N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-5-(methylsulfamoyl)benzamide
CID 51298085
N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 7601402
2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid
CID 119171965
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 60938045
N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546841
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
4-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylbenzamide
CID 115161027
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546886
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 18112583
2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide
CID 18115072

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide (CID 24544465) is N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide is COc1ccc(Br)cc1CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1C.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
The InChIKey is RYKFIEKJEAWTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-11-4-6-14(25(19,22)23)9-15(11)17(21)20(2)10-12-8-13(18)5-7-16(12)24-3/h4-9H,10H2,1-3H3,(H2,19,22,23).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide has a molecular weight of 427.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 24544465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).