N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide

C20H17N3O5S2 — CID 47092091

IUPACN-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccc3ncccc23)c1
InChIInChI=1S/C20H17N3O5S2/c24-29(25,22-14-16-6-4-12-28-16)17-7-1-5-15(13-17)23-30(26,27)20-10-2-9-19-18(20)8-3-11-21-19/h1-13,22-23H,14H2
InChIKeyKMGANTDFBZMBJN-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.11
Rot. Bonds7

About N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide (PubChem CID 47092091) has the molecular formula C20H17N3O5S2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide
PubChem CID47092091
Molecular FormulaC20H17N3O5S2
Molecular Weight443.51 g/mol
Exact Mass443.06
IUPAC NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccc3ncccc23)c1
InChIInChI=1S/C20H17N3O5S2/c24-29(25,22-14-16-6-4-12-28-16)17-7-1-5-15(13-17)23-30(26,27)20-10-2-9-19-18(20)8-3-11-21-19/h1-13,22-23H,14H2
InChIKeyKMGANTDFBZMBJN-UHFFFAOYSA-N
XLogP3.11
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
CID 55880160
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 4779851
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55704580
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 8680183
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
3-(1-aminopropyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60873785
2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 24639699

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide?
The IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide (CID 47092091) is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide?
The canonical SMILES for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide is O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccc3ncccc23)c1.
What is the InChIKey of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide?
The InChIKey is KMGANTDFBZMBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S2/c24-29(25,22-14-16-6-4-12-28-16)17-7-1-5-15(13-17)23-30(26,27)20-10-2-9-19-18(20)8-3-11-21-19/h1-13,22-23H,14H2.
What are the key properties of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide?
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide has a molecular weight of 443.51 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide is sourced from PubChem (CID 47092091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).