2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide

C13H13BrN2O4S — CID 106852863

IUPAC2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2ccoc2Br)ccc1C
InChIInChI=1S/C13H13BrN2O4S/c1-8-3-4-9(7-11(8)21(18,19)15-2)16-13(17)10-5-6-20-12(10)14/h3-7,15H,1-2H3,(H,16,17)
InChIKeyDELAQAOIFAVYOM-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.51
Rot. Bonds4

About 2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide

2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide (PubChem CID 106852863) has the molecular formula C13H13BrN2O4S and a molecular weight of 373.23 g/mol. Its IUPAC name is 2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide
PubChem CID106852863
Molecular FormulaC13H13BrN2O4S
Molecular Weight373.23 g/mol
Exact Mass371.98
IUPAC Name2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2ccoc2Br)ccc1C
InChIInChI=1S/C13H13BrN2O4S/c1-8-3-4-9(7-11(8)21(18,19)15-2)16-13(17)10-5-6-20-12(10)14/h3-7,15H,1-2H3,(H,16,17)
InChIKeyDELAQAOIFAVYOM-UHFFFAOYSA-N
XLogP2.51
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 9107157
5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 60646244
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9479404
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrole-3-carboxamide
CID 32967693
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 9107286
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide
CID 106853250
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(2-methylpropyl)benzamide
CID 9107411
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605
3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190067

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide (CID 106852863) is 2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide is CNS(=O)(=O)c1cc(NC(=O)c2ccoc2Br)ccc1C.
What is the InChIKey of 2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide?
The InChIKey is DELAQAOIFAVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S/c1-8-3-4-9(7-11(8)21(18,19)15-2)16-13(17)10-5-6-20-12(10)14/h3-7,15H,1-2H3,(H,16,17).
What are the key properties of 2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide?
2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide has a molecular weight of 373.23 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106852863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).