3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide

C21H20BrN3O4S — CID 2535494

IUPAC3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCc2ccccn2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C21H20BrN3O4S/c1-29-19-10-5-15(21(26)24-13-11-17-4-2-3-12-23-17)14-20(19)30(27,28)25-18-8-6-16(22)7-9-18/h2-10,12,14,25H,11,13H2,1H3,(H,24,26)
InChIKeyPTNWWXRCXAWPIH-UHFFFAOYSA-N
MW490.38 g/mol
LogP3.63
Rot. Bonds8

About 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide

3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 2535494) has the molecular formula C21H20BrN3O4S and a molecular weight of 490.38 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID2535494
Molecular FormulaC21H20BrN3O4S
Molecular Weight490.38 g/mol
Exact Mass489.04
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCc2ccccn2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C21H20BrN3O4S/c1-29-19-10-5-15(21(26)24-13-11-17-4-2-3-12-23-17)14-20(19)30(27,28)25-18-8-6-16(22)7-9-18/h2-10,12,14,25H,11,13H2,1H3,(H,24,26)
InChIKeyPTNWWXRCXAWPIH-UHFFFAOYSA-N
XLogP3.63
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide (CID 2535494) is 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide is COc1ccc(C(=O)NCCc2ccccn2)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is PTNWWXRCXAWPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O4S/c1-29-19-10-5-15(21(26)24-13-11-17-4-2-3-12-23-17)14-20(19)30(27,28)25-18-8-6-16(22)7-9-18/h2-10,12,14,25H,11,13H2,1H3,(H,24,26).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide?
3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 490.38 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 2535494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).