N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C17H19ClN2O6S — CID 46575932

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1Cl
InChIInChI=1S/C17H19ClN2O6S/c1-24-14-10-15(25-2)12(9-11(14)18)19-17(21)13-5-6-16(26-13)27(22,23)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyVDSPHKZFPIYJTL-UHFFFAOYSA-N
MW414.87 g/mol
LogP2.99
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 46575932) has the molecular formula C17H19ClN2O6S and a molecular weight of 414.87 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID46575932
Molecular FormulaC17H19ClN2O6S
Molecular Weight414.87 g/mol
Exact Mass414.07
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1Cl
InChIInChI=1S/C17H19ClN2O6S/c1-24-14-10-15(25-2)12(9-11(14)18)19-17(21)13-5-6-16(26-13)27(22,23)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyVDSPHKZFPIYJTL-UHFFFAOYSA-N
XLogP2.99
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
N-(4-chloro-2,5-dimethoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30395840
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 26620619
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55783915
methyl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 46547480
N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26620585
methyl 2-hydroxy-3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 56576104
N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55631341

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 46575932) is N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is COc1cc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is VDSPHKZFPIYJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O6S/c1-24-14-10-15(25-2)12(9-11(14)18)19-17(21)13-5-6-16(26-13)27(22,23)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 414.87 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 46575932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).