N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C22H18ClN3O5S — CID 19463169

IUPACN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Cn3cccn3)o2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H18ClN3O5S/c1-30-18-11-16(12-20(13-18)32(28,29)19-6-3-15(23)4-7-19)25-22(27)21-8-5-17(31-21)14-26-10-2-9-24-26/h2-13H,14H2,1H3,(H,25,27)
InChIKeyUVXONRWWOMOYQX-UHFFFAOYSA-N
MW471.92 g/mol
LogP4.27
Rot. Bonds7

About N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 19463169) has the molecular formula C22H18ClN3O5S and a molecular weight of 471.92 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID19463169
Molecular FormulaC22H18ClN3O5S
Molecular Weight471.92 g/mol
Exact Mass471.07
IUPAC NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Cn3cccn3)o2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H18ClN3O5S/c1-30-18-11-16(12-20(13-18)32(28,29)19-6-3-15(23)4-7-19)25-22(27)21-8-5-17(31-21)14-26-10-2-9-24-26/h2-13H,14H2,1H3,(H,25,27)
InChIKeyUVXONRWWOMOYQX-UHFFFAOYSA-N
XLogP4.27
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451225
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467382
5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide
CID 19450369
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446931
5-[(4-butan-2-ylphenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide
CID 19450649
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-ethylpyrazole-4-carboxamide
CID 19281153
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463175
N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463007
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463115
N-(3-methoxy-5-nitrophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19459182
1-[(4-tert-butylphenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]pyrazole-3-carboxamide
CID 19273859
N-(3,5-dimethoxyphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440333

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 19463169) is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is COc1cc(NC(=O)c2ccc(Cn3cccn3)o2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is UVXONRWWOMOYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O5S/c1-30-18-11-16(12-20(13-18)32(28,29)19-6-3-15(23)4-7-19)25-22(27)21-8-5-17(31-21)14-26-10-2-9-24-26/h2-13H,14H2,1H3,(H,25,27).
What are the key properties of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 471.92 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19463169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).