5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

C18H17ClN2O4S — CID 7581232

IUPAC5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C18H17ClN2O4S/c1-11-15-10-12(19)4-9-16(15)25-17(11)18(22)20-13-5-7-14(8-6-13)26(23,24)21(2)3/h4-10H,1-3H3,(H,20,22)
InChIKeyOBUPRIFYMJXJHS-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.90
Rot. Bonds4

About 5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7581232) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID7581232
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C18H17ClN2O4S/c1-11-15-10-12(19)4-9-16(15)25-17(11)18(22)20-13-5-7-14(8-6-13)26(23,24)21(2)3/h4-10H,1-3H3,(H,20,22)
InChIKeyOBUPRIFYMJXJHS-UHFFFAOYSA-N
XLogP3.90
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 9328773
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7578111
2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815
5-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 31618564
5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 17489989
5-chloro-N-[2-(dimethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 43063974
5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4048386
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 18284969
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17014036
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 1304567

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 7581232) is 5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OBUPRIFYMJXJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-11-15-10-12(19)4-9-16(15)25-17(11)18(22)20-13-5-7-14(8-6-13)26(23,24)21(2)3/h4-10H,1-3H3,(H,20,22).
What are the key properties of 5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 392.86 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7581232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).