3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide

C20H25BrN2O5S — CID 43007132

IUPAC3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C20H25BrN2O5S/c1-15-7-8-18(21)19(13-15)22-29(25,26)17-6-4-5-16(14-17)20(24)23(9-11-27-2)10-12-28-3/h4-8,13-14,22H,9-12H2,1-3H3
InChIKeyLUCIHTHFKVNZFA-UHFFFAOYSA-N
MW485.40 g/mol
LogP3.29
Rot. Bonds10

About 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide

3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 43007132) has the molecular formula C20H25BrN2O5S and a molecular weight of 485.40 g/mol. Its IUPAC name is 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide
PubChem CID43007132
Molecular FormulaC20H25BrN2O5S
Molecular Weight485.40 g/mol
Exact Mass484.07
IUPAC Name3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C20H25BrN2O5S/c1-15-7-8-18(21)19(13-15)22-29(25,26)17-6-4-5-16(14-17)20(24)23(9-11-27-2)10-12-28-3/h4-8,13-14,22H,9-12H2,1-3H3
InChIKeyLUCIHTHFKVNZFA-UHFFFAOYSA-N
XLogP3.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 26500853
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498995
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide
CID 27232311
N-benzyl-3-[(2-chlorophenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 60520179
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 31399135
3-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 46635900
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 26979454
N-(2-bromo-4-methylphenyl)-3-propanoylbenzenesulfonamide
CID 112838604
N-(2-bromo-5-methylphenyl)-3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24536114
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 60519873
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 55386926

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide (CID 43007132) is 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide is COCCN(CCOC)C(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1.
What is the InChIKey of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is LUCIHTHFKVNZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O5S/c1-15-7-8-18(21)19(13-15)22-29(25,26)17-6-4-5-16(14-17)20(24)23(9-11-27-2)10-12-28-3/h4-8,13-14,22H,9-12H2,1-3H3.
What are the key properties of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide?
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 485.40 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 43007132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).