N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide

C16H16BrN3O4S — CID 108520368

IUPACN'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
SMILESCc1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H16BrN3O4S/c1-10-8-12(17)4-7-14(10)20-16(22)15(21)19-9-11-2-5-13(6-3-11)25(18,23)24/h2-8H,9H2,1H3,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyYLKBXTYPQKQZQB-UHFFFAOYSA-N
MW426.29 g/mol
LogP1.66
Rot. Bonds4

About N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide

N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide (PubChem CID 108520368) has the molecular formula C16H16BrN3O4S and a molecular weight of 426.29 g/mol. Its IUPAC name is N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
PubChem CID108520368
Molecular FormulaC16H16BrN3O4S
Molecular Weight426.29 g/mol
Exact Mass425.00
IUPAC NameN'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
SMILESCc1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H16BrN3O4S/c1-10-8-12(17)4-7-14(10)20-16(22)15(21)19-9-11-2-5-13(6-3-11)25(18,23)24/h2-8H,9H2,1H3,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyYLKBXTYPQKQZQB-UHFFFAOYSA-N
XLogP1.66
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.29
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520359
N'-(4-bromo-3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520369
1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3790845
N'-(4-bromo-2-methylphenyl)-N-[(4-methylphenyl)methyl]propanediamide
CID 108945836
N-(4-bromo-2-methylphenyl)-N'-(2-bromophenyl)oxamide
CID 108531900
N'-(4-bromo-2-methylphenyl)-N-hexyloxamide
CID 47148018
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide
CID 108857857
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 42911653
N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520363
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
CID 108532618
N'-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 16799810

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide?
The IUPAC name of N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide (CID 108520368) is N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide?
The canonical SMILES for N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide is Cc1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide?
The InChIKey is YLKBXTYPQKQZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O4S/c1-10-8-12(17)4-7-14(10)20-16(22)15(21)19-9-11-2-5-13(6-3-11)25(18,23)24/h2-8H,9H2,1H3,(H,19,21)(H,20,22)(H2,18,23,24).
What are the key properties of N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide?
N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide has a molecular weight of 426.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide is sourced from PubChem (CID 108520368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).