3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide

C23H21ClN2O4S — CID 55638298

IUPAC3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
SMILESO=C(NCC1Cc2ccccc2O1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H21ClN2O4S/c24-20-11-10-18(13-22(20)31(28,29)26-14-16-6-2-1-3-7-16)23(27)25-15-19-12-17-8-4-5-9-21(17)30-19/h1-11,13,19,26H,12,14-15H2,(H,25,27)
InChIKeyAPBZVOHDAFLTQD-UHFFFAOYSA-N
MW456.95 g/mol
LogP3.55
Rot. Bonds7

About 3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide

3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide (PubChem CID 55638298) has the molecular formula C23H21ClN2O4S and a molecular weight of 456.95 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
PubChem CID55638298
Molecular FormulaC23H21ClN2O4S
Molecular Weight456.95 g/mol
Exact Mass456.09
IUPAC Name3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
SMILESO=C(NCC1Cc2ccccc2O1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H21ClN2O4S/c24-20-11-10-18(13-22(20)31(28,29)26-14-16-6-2-1-3-7-16)23(27)25-15-19-12-17-8-4-5-9-21(17)30-19/h1-11,13,19,26H,12,14-15H2,(H,25,27)
InChIKeyAPBZVOHDAFLTQD-UHFFFAOYSA-N
XLogP3.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-methylsulfonylbenzamide
CID 51083815
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61003695
N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
CID 38639374
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 47026743
3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide
CID 24615553
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097
3-(benzylsulfamoyl)-4-chloro-N-cyclohexyl-N-methylbenzamide
CID 25471701
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
N-benzyl-5-(2-bromoacetyl)-2-chlorobenzenesulfonamide
CID 21316702
3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
CID 24540711

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide (CID 55638298) is 3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide is O=C(NCC1Cc2ccccc2O1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The InChIKey is APBZVOHDAFLTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4S/c24-20-11-10-18(13-22(20)31(28,29)26-14-16-6-2-1-3-7-16)23(27)25-15-19-12-17-8-4-5-9-21(17)30-19/h1-11,13,19,26H,12,14-15H2,(H,25,27).
What are the key properties of 3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide has a molecular weight of 456.95 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide is sourced from PubChem (CID 55638298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).