2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide

C19H21BrN2O4S — CID 55724612

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1cccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c1
InChIInChI=1S/C19H21BrN2O4S/c1-26-12-14-4-2-3-13(9-14)11-21-19(23)17-10-16(7-8-18(17)20)27(24,25)22-15-5-6-15/h2-4,7-10,15,22H,5-6,11-12H2,1H3,(H,21,23)
InChIKeyHAKGKWNMLRLGHC-UHFFFAOYSA-N
MW453.36 g/mol
LogP2.97
Rot. Bonds8

About 2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide (PubChem CID 55724612) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
PubChem CID55724612
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1cccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c1
InChIInChI=1S/C19H21BrN2O4S/c1-26-12-14-4-2-3-13(9-14)11-21-19(23)17-10-16(7-8-18(17)20)27(24,25)22-15-5-6-15/h2-4,7-10,15,22H,5-6,11-12H2,1H3,(H,21,23)
InChIKeyHAKGKWNMLRLGHC-UHFFFAOYSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24637964
2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 114371778
2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 24504527
2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 9401625
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide
CID 80973519
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 17484041
5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 46401488
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 24642120
3-(benzamidocarbamoyl)-4-bromo-N-cyclopropylbenzenesulfonamide
CID 27839003
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396976
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 35150998
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide (CID 55724612) is 2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide is COCc1cccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c1.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The InChIKey is HAKGKWNMLRLGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c1-26-12-14-4-2-3-13(9-14)11-21-19(23)17-10-16(7-8-18(17)20)27(24,25)22-15-5-6-15/h2-4,7-10,15,22H,5-6,11-12H2,1H3,(H,21,23).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide has a molecular weight of 453.36 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55724612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).