N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide

C17H11BrF2N2O4S — CID 25342623

IUPACN-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1)c1ccco1
InChIInChI=1S/C17H11BrF2N2O4S/c18-13-7-10(19)8-14(20)16(13)27(24,25)22-12-4-1-3-11(9-12)21-17(23)15-5-2-6-26-15/h1-9,22H,(H,21,23)
InChIKeyMHGYUQDMKRJWEL-UHFFFAOYSA-N
MW457.25 g/mol
LogP4.37
Rot. Bonds5

About N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide

N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide (PubChem CID 25342623) has the molecular formula C17H11BrF2N2O4S and a molecular weight of 457.25 g/mol. Its IUPAC name is N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
PubChem CID25342623
Molecular FormulaC17H11BrF2N2O4S
Molecular Weight457.25 g/mol
Exact Mass455.96
IUPAC NameN-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1)c1ccco1
InChIInChI=1S/C17H11BrF2N2O4S/c18-13-7-10(19)8-14(20)16(13)27(24,25)22-12-4-1-3-11(9-12)21-17(23)15-5-2-6-26-15/h1-9,22H,(H,21,23)
InChIKeyMHGYUQDMKRJWEL-UHFFFAOYSA-N
XLogP4.37
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.25
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 18206661
N-(2-bromo-4,6-difluorophenyl)furan-2-carboxamide
CID 1244098
2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
CID 26951704
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide
CID 107650719
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 31582051
4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25342673
N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide
CID 103274678
N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide
CID 5090166
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788
methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate
CID 25335107
dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 24621973

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide (CID 25342623) is N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide is O=C(Nc1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1)c1ccco1.
What is the InChIKey of N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide?
The InChIKey is MHGYUQDMKRJWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF2N2O4S/c18-13-7-10(19)8-14(20)16(13)27(24,25)22-12-4-1-3-11(9-12)21-17(23)15-5-2-6-26-15/h1-9,22H,(H,21,23).
What are the key properties of N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide?
N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide has a molecular weight of 457.25 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 25342623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).