3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide

C20H25BrN2O3S — CID 11532557

IUPAC3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NCC(C)(C)C)ccc1Br
InChIInChI=1S/C20H25BrN2O3S/c1-20(2,3)14-22-19(24)16-10-11-17(21)18(12-16)27(25,26)23(4)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3,(H,22,24)
InChIKeyAJSTYDSDEMNGQP-UHFFFAOYSA-N
MW453.40 g/mol
LogP4.05
Rot. Bonds6

About 3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide

3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide (PubChem CID 11532557) has the molecular formula C20H25BrN2O3S and a molecular weight of 453.40 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide
PubChem CID11532557
Molecular FormulaC20H25BrN2O3S
Molecular Weight453.40 g/mol
Exact Mass452.08
IUPAC Name3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NCC(C)(C)C)ccc1Br
InChIInChI=1S/C20H25BrN2O3S/c1-20(2,3)14-22-19(24)16-10-11-17(21)18(12-16)27(25,26)23(4)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3,(H,22,24)
InChIKeyAJSTYDSDEMNGQP-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-bromo-3-(morpholinosulfonyl)benzamide
CID 1076739
4-bromo-N-butyl-2-cyclohexylsulfanyl-5-sulfamoylbenzamide
CID 126507854
2-benzylsulfanyl-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508116
4-bromo-N-butyl-2-phenylsulfanyl-5-sulfamoylbenzamide
CID 126508267
4-bromo-N-butyl-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide
CID 126508271
2-(benzenesulfonyl)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508716
4-bromo-N-butyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide
CID 126508968
2,4-dibromo-N-butyl-5-sulfamoylbenzamide
CID 126509349
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
N-benzyl-4-bromo-3-(piperidin-1-ylsulfonyl)benzamide
CID 1127069
N-(2-phenylethyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1262340
4-Bromo-3-piperidin-1-ylsulfonylbenzamide
CID 2843095

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide?
The IUPAC name of 3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide (CID 11532557) is 3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide?
The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide is CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NCC(C)(C)C)ccc1Br.
What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide?
The InChIKey is AJSTYDSDEMNGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3S/c1-20(2,3)14-22-19(24)16-10-11-17(21)18(12-16)27(25,26)23(4)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3,(H,22,24).
What are the key properties of 3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide?
3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide has a molecular weight of 453.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 11532557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).