2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide

C19H22BrN3O3S — CID 25396976

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)c1ccccc1
InChIInChI=1S/C19H22BrN3O3S/c1-23(15-5-3-2-4-6-15)12-11-21-19(24)17-13-16(9-10-18(17)20)27(25,26)22-14-7-8-14/h2-6,9-10,13-14,22H,7-8,11-12H2,1H3,(H,21,24)
InChIKeyYUVYSJLYFZRBHJ-UHFFFAOYSA-N
MW452.37 g/mol
LogP2.76
Rot. Bonds8

About 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide (PubChem CID 25396976) has the molecular formula C19H22BrN3O3S and a molecular weight of 452.37 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide
PubChem CID25396976
Molecular FormulaC19H22BrN3O3S
Molecular Weight452.37 g/mol
Exact Mass451.06
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)c1ccccc1
InChIInChI=1S/C19H22BrN3O3S/c1-23(15-5-3-2-4-6-15)12-11-21-19(24)17-13-16(9-10-18(17)20)27(25,26)22-14-7-8-14/h2-6,9-10,13-14,22H,7-8,11-12H2,1H3,(H,21,24)
InChIKeyYUVYSJLYFZRBHJ-UHFFFAOYSA-N
XLogP2.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
CID 26444801
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2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
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CID 86945813
2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 24504527
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 9401625
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CID 55724612
2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24637964
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CID 7128950

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide (CID 25396976) is 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide is CN(CCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide?
The InChIKey is YUVYSJLYFZRBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O3S/c1-23(15-5-3-2-4-6-15)12-11-21-19(24)17-13-16(9-10-18(17)20)27(25,26)22-14-7-8-14/h2-6,9-10,13-14,22H,7-8,11-12H2,1H3,(H,21,24).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide has a molecular weight of 452.37 g/mol, XLogP of 2.76, 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-[2-(N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 25396976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).