2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide

C21H20ClN3O5S2 — CID 160863858

IUPAC2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide
SMILESCc1ccc(N(C)C(=O)c2ccnc(S(=O)(=O)N(C)c3ccc(Cl)cc3)c2)cc1.O=S=O
InChIInChI=1S/C21H20ClN3O3S.O2S/c1-15-4-8-18(9-5-15)24(2)21(26)16-12-13-23-20(14-16)29(27,28)25(3)19-10-6-17(22)7-11-19;1-3-2/h4-14H,1-3H3;
InChIKeySKVPORUDHGLXHC-UHFFFAOYSA-N
MW493.99 g/mol
LogP3.47
Rot. Bonds5

About 2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide

2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide (PubChem CID 160863858) has the molecular formula C21H20ClN3O5S2 and a molecular weight of 493.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide
PubChem CID160863858
Molecular FormulaC21H20ClN3O5S2
Molecular Weight493.99 g/mol
Exact Mass493.05
IUPAC Name2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide
SMILESCc1ccc(N(C)C(=O)c2ccnc(S(=O)(=O)N(C)c3ccc(Cl)cc3)c2)cc1.O=S=O
InChIInChI=1S/C21H20ClN3O3S.O2S/c1-15-4-8-18(9-5-15)24(2)21(26)16-12-13-23-20(14-16)29(27,28)25(3)19-10-6-17(22)7-11-19;1-3-2/h4-14H,1-3H3;
InChIKeySKVPORUDHGLXHC-UHFFFAOYSA-N
XLogP3.47
TPSA104.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide?
The IUPAC name of 2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide (CID 160863858) is 2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide.
What is the SMILES notation for 2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide?
The canonical SMILES for 2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide is Cc1ccc(N(C)C(=O)c2ccnc(S(=O)(=O)N(C)c3ccc(Cl)cc3)c2)cc1.O=S=O.
What is the InChIKey of 2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide?
The InChIKey is SKVPORUDHGLXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S.O2S/c1-15-4-8-18(9-5-15)24(2)21(26)16-12-13-23-20(14-16)29(27,28)25(3)19-10-6-17(22)7-11-19;1-3-2/h4-14H,1-3H3;.
What are the key properties of 2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide?
2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide has a molecular weight of 493.99 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;sulfur dioxide is sourced from PubChem (CID 160863858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).