2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide

C16H24BrN3O3S — CID 86945813

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide
SMILESCC(CCN(C)C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C16H24BrN3O3S/c1-11(8-9-20(2)3)18-16(21)14-10-13(6-7-15(14)17)24(22,23)19-12-4-5-12/h6-7,10-12,19H,4-5,8-9H2,1-3H3,(H,18,21)
InChIKeyUTANGHQOTNKMRZ-UHFFFAOYSA-N
MW418.36 g/mol
LogP1.96
Rot. Bonds8

About 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide (PubChem CID 86945813) has the molecular formula C16H24BrN3O3S and a molecular weight of 418.36 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide
PubChem CID86945813
Molecular FormulaC16H24BrN3O3S
Molecular Weight418.36 g/mol
Exact Mass417.07
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide
SMILESCC(CCN(C)C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C16H24BrN3O3S/c1-11(8-9-20(2)3)18-16(21)14-10-13(6-7-15(14)17)24(22,23)19-12-4-5-12/h6-7,10-12,19H,4-5,8-9H2,1-3H3,(H,18,21)
InChIKeyUTANGHQOTNKMRZ-UHFFFAOYSA-N
XLogP1.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 40811240
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CID 27755032
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromo-5-(cyclopropylsulfamoyl)benzamide
CID 24610224
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide
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2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide
CID 9165558
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 24642120
2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56509479
2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 24504527

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide (CID 86945813) is 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide is CC(CCN(C)C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide?
The InChIKey is UTANGHQOTNKMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O3S/c1-11(8-9-20(2)3)18-16(21)14-10-13(6-7-15(14)17)24(22,23)19-12-4-5-12/h6-7,10-12,19H,4-5,8-9H2,1-3H3,(H,18,21).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide has a molecular weight of 418.36 g/mol, XLogP of 1.96, 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-[4-(dimethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 86945813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).