(2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C18H19ClN2O4S — CID 41267418

IUPAC(2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C18H19ClN2O4S/c1-21(2)26(23,24)17-6-4-3-5-12(17)11-20-18(22)16-10-13-9-14(19)7-8-15(13)25-16/h3-9,16H,10-11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyHJSWSMHKFDDVQT-INIZCTEOSA-N
MW394.88 g/mol
LogP2.21
Rot. Bonds5

About (2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 41267418) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is (2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID41267418
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name(2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C18H19ClN2O4S/c1-21(2)26(23,24)17-6-4-3-5-12(17)11-20-18(22)16-10-13-9-14(19)7-8-15(13)25-16/h3-9,16H,10-11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyHJSWSMHKFDDVQT-INIZCTEOSA-N
XLogP2.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705155
(2R)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705156
(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006574
3-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676584
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 155821492
cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 26247678
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106164157
N-(2-amino-2-ethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119643716
5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 120831314
5-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51081170
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18140584
(2R)-6-chloro-N-[(2-chlorophenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 28635302

Frequently Asked Questions

What is the IUPAC name of (2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 41267418) is (2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1.
What is the InChIKey of (2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is HJSWSMHKFDDVQT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-21(2)26(23,24)17-6-4-3-5-12(17)11-20-18(22)16-10-13-9-14(19)7-8-15(13)25-16/h3-9,16H,10-11H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 41267418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).