N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide

C21H14Cl3NO4S2 — CID 22388206

IUPACN-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide
SMILESCc1oc2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)s3)cc2c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H14Cl3NO4S2/c1-11-15(8-12-2-4-14(22)10-17(12)23)16-9-13(3-5-18(16)29-11)21(26)25-31(27,28)20-7-6-19(24)30-20/h2-7,9-10H,8H2,1H3,(H,25,26)
InChIKeyUYXMEKAMTYQCSE-UHFFFAOYSA-N
MW514.84 g/mol
LogP6.47
Rot. Bonds5

About N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide

N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide (PubChem CID 22388206) has the molecular formula C21H14Cl3NO4S2 and a molecular weight of 514.84 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide
PubChem CID22388206
Molecular FormulaC21H14Cl3NO4S2
Molecular Weight514.84 g/mol
Exact Mass512.94
IUPAC NameN-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide
SMILESCc1oc2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)s3)cc2c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H14Cl3NO4S2/c1-11-15(8-12-2-4-14(22)10-17(12)23)16-9-13(3-5-18(16)29-11)21(26)25-31(27,28)20-7-6-19(24)30-20/h2-7,9-10H,8H2,1H3,(H,25,26)
InChIKeyUYXMEKAMTYQCSE-UHFFFAOYSA-N
XLogP6.47
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.84
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-3-[(2-chloro-4-phenylphenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide
CID 22387985
N-(benzenesulfonyl)-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzothiophene-5-carboxamide
CID 22388469
3-[(2-chloro-4-phenylphenyl)methyl]-N-(4-ethenylphenyl)sulfonyl-2-methyl-1-benzofuran-5-carboxamide
CID 22388291
N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide
CID 57171958
5-chloro-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 113098447
3,6-dichloro-N-(5-chlorothiophen-2-yl)sulfonyl-1-benzothiophene-2-carboxamide
CID 4842698
N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883
1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea
CID 134117146
N-(5-chlorothiophen-2-yl)sulfonylfuran-2-carboxamide
CID 47108903
5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22772042
2-amino-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 68844992
N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide
CID 162436580

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide (CID 22388206) is N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide is Cc1oc2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)s3)cc2c1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide?
The InChIKey is UYXMEKAMTYQCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3NO4S2/c1-11-15(8-12-2-4-14(22)10-17(12)23)16-9-13(3-5-18(16)29-11)21(26)25-31(27,28)20-7-6-19(24)30-20/h2-7,9-10H,8H2,1H3,(H,25,26).
What are the key properties of N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide?
N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide has a molecular weight of 514.84 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)sulfonyl-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 22388206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).