3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide

C22H22ClN3O3S — CID 86847643

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide
SMILESCC(C)N(C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)c1cccnc1
InChIInChI=1S/C22H22ClN3O3S/c1-16(2)26(20-10-6-12-24-15-20)22(27)17-7-4-11-21(13-17)30(28,29)25(3)19-9-5-8-18(23)14-19/h4-16H,1-3H3
InChIKeyNBDUONZASCDZAD-UHFFFAOYSA-N
MW443.96 g/mol
LogP4.62
Rot. Bonds6

About 3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide

3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide (PubChem CID 86847643) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide
PubChem CID86847643
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide
SMILESCC(C)N(C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)c1cccnc1
InChIInChI=1S/C22H22ClN3O3S/c1-16(2)26(20-10-6-12-24-15-20)22(27)17-7-4-11-21(13-17)30(28,29)25(3)19-9-5-8-18(23)14-19/h4-16H,1-3H3
InChIKeyNBDUONZASCDZAD-UHFFFAOYSA-N
XLogP4.62
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide (CID 86847643) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide is CC(C)N(C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)c1cccnc1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide?
The InChIKey is NBDUONZASCDZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S/c1-16(2)26(20-10-6-12-24-15-20)22(27)17-7-4-11-21(13-17)30(28,29)25(3)19-9-5-8-18(23)14-19/h4-16H,1-3H3.
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide has a molecular weight of 443.96 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 86847643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).