N-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide

C13H13BrN2O4S — CID 71909683

IUPACN-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(Br)c2)co1
InChIInChI=1S/C13H13BrN2O4S/c1-16(2)21(18,19)12-6-9(8-20-12)13(17)15-11-5-3-4-10(14)7-11/h3-8H,1-2H3,(H,15,17)
InChIKeyAEKHZQVYCWJBLC-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.54
Rot. Bonds4

About N-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide

N-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide (PubChem CID 71909683) has the molecular formula C13H13BrN2O4S and a molecular weight of 373.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide
PubChem CID71909683
Molecular FormulaC13H13BrN2O4S
Molecular Weight373.23 g/mol
Exact Mass371.98
IUPAC NameN-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(Br)c2)co1
InChIInChI=1S/C13H13BrN2O4S/c1-16(2)21(18,19)12-6-9(8-20-12)13(17)15-11-5-3-4-10(14)7-11/h3-8H,1-2H3,(H,15,17)
InChIKeyAEKHZQVYCWJBLC-UHFFFAOYSA-N
XLogP2.54
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562
5-[(3-bromophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607089
N-(3-bromophenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 8991381
2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852841
N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide
CID 100785831
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 17459459
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
N-(3-acetylphenyl)-5-methylfuran-3-carboxamide
CID 114820827
N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide
CID 41148003
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841
N-(3-bromophenyl)-4-(diethylamino)benzamide
CID 690499

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide (CID 71909683) is N-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(Br)c2)co1.
What is the InChIKey of N-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide?
The InChIKey is AEKHZQVYCWJBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S/c1-16(2)21(18,19)12-6-9(8-20-12)13(17)15-11-5-3-4-10(14)7-11/h3-8H,1-2H3,(H,15,17).
What are the key properties of N-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide?
N-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide has a molecular weight of 373.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(dimethylsulfamoyl)furan-3-carboxamide is sourced from PubChem (CID 71909683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).