2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide

C20H20Cl2N4O4S — CID 31851271

IUPAC2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cc(C(=O)Nc3ccn(C)n3)c(Cl)cc2Cl)cc1
InChIInChI=1S/C20H20Cl2N4O4S/c1-26-10-8-19(25-26)24-20(27)15-11-18(17(22)12-16(15)21)31(28,29)23-9-7-13-3-5-14(30-2)6-4-13/h3-6,8,10-12,23H,7,9H2,1-2H3,(H,24,25,27)
InChIKeyAWCZNFKJHNADIR-UHFFFAOYSA-N
MW483.38 g/mol
LogP3.51
Rot. Bonds8

About 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide

2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 31851271) has the molecular formula C20H20Cl2N4O4S and a molecular weight of 483.38 g/mol. Its IUPAC name is 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID31851271
Molecular FormulaC20H20Cl2N4O4S
Molecular Weight483.38 g/mol
Exact Mass482.06
IUPAC Name2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cc(C(=O)Nc3ccn(C)n3)c(Cl)cc2Cl)cc1
InChIInChI=1S/C20H20Cl2N4O4S/c1-26-10-8-19(25-26)24-20(27)15-11-18(17(22)12-16(15)21)31(28,29)23-9-7-13-3-5-14(30-2)6-4-13/h3-6,8,10-12,23H,7,9H2,1-2H3,(H,24,25,27)
InChIKeyAWCZNFKJHNADIR-UHFFFAOYSA-N
XLogP3.51
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide (CID 31851271) is 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide is COc1ccc(CCNS(=O)(=O)c2cc(C(=O)Nc3ccn(C)n3)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is AWCZNFKJHNADIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O4S/c1-26-10-8-19(25-26)24-20(27)15-11-18(17(22)12-16(15)21)31(28,29)23-9-7-13-3-5-14(30-2)6-4-13/h3-6,8,10-12,23H,7,9H2,1-2H3,(H,24,25,27).
What are the key properties of 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide?
2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 483.38 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 31851271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).