5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C20H17ClN2O5S — CID 24639720

IUPAC5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C20H17ClN2O5S/c21-14-6-7-18-13(9-14)10-19(28-18)20(24)23-15-3-1-5-17(11-15)29(25,26)22-12-16-4-2-8-27-16/h1-9,11,19,22H,10,12H2,(H,23,24)
InChIKeyNCZZTAYUXWSREZ-UHFFFAOYSA-N
MW432.89 g/mol
LogP3.35
Rot. Bonds6

About 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 24639720) has the molecular formula C20H17ClN2O5S and a molecular weight of 432.89 g/mol. Its IUPAC name is 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID24639720
Molecular FormulaC20H17ClN2O5S
Molecular Weight432.89 g/mol
Exact Mass432.05
IUPAC Name5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C20H17ClN2O5S/c21-14-6-7-18-13(9-14)10-19(28-18)20(24)23-15-3-1-5-17(11-15)29(25,26)22-12-16-4-2-8-27-16/h1-9,11,19,22H,10,12H2,(H,23,24)
InChIKeyNCZZTAYUXWSREZ-UHFFFAOYSA-N
XLogP3.35
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074101
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
2-(furan-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 86852545
(2R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26692549
2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 55476541
2-(3-chlorophenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 55342838
5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide
CID 4071248
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 166209498
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35558989
5-chloro-N-[4-(ethylsulfonylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55960335
5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55654534

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 24639720) is 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is NCZZTAYUXWSREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5S/c21-14-6-7-18-13(9-14)10-19(28-18)20(24)23-15-3-1-5-17(11-15)29(25,26)22-12-16-4-2-8-27-16/h1-9,11,19,22H,10,12H2,(H,23,24).
What are the key properties of 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 432.89 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24639720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).