N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide

C17H15N3O6S2 — CID 18206661

IUPACN-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C17H15N3O6S2/c18-27(22,23)14-6-8-15(9-7-14)28(24,25)20-13-4-1-3-12(11-13)19-17(21)16-5-2-10-26-16/h1-11,20H,(H,19,21)(H2,18,22,23)
InChIKeyBNDNAOIWRCMBNK-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.98
Rot. Bonds6

About N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide

N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide (PubChem CID 18206661) has the molecular formula C17H15N3O6S2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
PubChem CID18206661
Molecular FormulaC17H15N3O6S2
Molecular Weight421.46 g/mol
Exact Mass421.04
IUPAC NameN-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C17H15N3O6S2/c18-27(22,23)14-6-8-15(9-7-14)28(24,25)20-13-4-1-3-12(11-13)19-17(21)16-5-2-10-26-16/h1-11,20H,(H,19,21)(H2,18,22,23)
InChIKeyBNDNAOIWRCMBNK-UHFFFAOYSA-N
XLogP1.98
TPSA148.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide
CID 18230196
N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 25342623
N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide
CID 107650719
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 31582051
N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014553
N-[4-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014548
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
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
N-(2-fluoro-4-sulfamoylphenyl)furan-2-carboxamide
CID 61129773
2-(furan-2-carbonylamino)-N-(4-sulfamoylphenyl)-1,3-oxazole-4-carboxamide
CID 90515186

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide (CID 18206661) is N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide is NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide?
The InChIKey is BNDNAOIWRCMBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6S2/c18-27(22,23)14-6-8-15(9-7-14)28(24,25)20-13-4-1-3-12(11-13)19-17(21)16-5-2-10-26-16/h1-11,20H,(H,19,21)(H2,18,22,23).
What are the key properties of N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide?
N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 18206661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).