N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C20H18ClN3O4S — CID 39753725

IUPACN-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1
InChIInChI=1S/C20H18ClN3O4S/c1-24(16-7-9-17(28-2)10-8-16)29(26,27)18-5-3-4-14(12-18)20(25)23-19-11-6-15(21)13-22-19/h3-13H,1-2H3,(H,22,23,25)
InChIKeyNLEBTJWDDKANDZ-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.82
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 39753725) has the molecular formula C20H18ClN3O4S and a molecular weight of 431.90 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID39753725
Molecular FormulaC20H18ClN3O4S
Molecular Weight431.90 g/mol
Exact Mass431.07
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1
InChIInChI=1S/C20H18ClN3O4S/c1-24(16-7-9-17(28-2)10-8-16)29(26,27)18-5-3-4-14(12-18)20(25)23-19-11-6-15(21)13-22-19/h3-13H,1-2H3,(H,22,23,25)
InChIKeyNLEBTJWDDKANDZ-UHFFFAOYSA-N
XLogP3.82
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 39753725) is N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is NLEBTJWDDKANDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S/c1-24(16-7-9-17(28-2)10-8-16)29(26,27)18-5-3-4-14(12-18)20(25)23-19-11-6-15(21)13-22-19/h3-13H,1-2H3,(H,22,23,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 431.90 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 39753725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).