2-bromo-N,N-diethyl-5-sulfamoylbenzamide

C11H15BrN2O3S — CID 47101234

IUPAC2-bromo-N,N-diethyl-5-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-3-14(4-2)11(15)9-7-8(18(13,16)17)5-6-10(9)12/h5-7H,3-4H2,1-2H3,(H2,13,16,17)
InChIKeyXUCHCJNOPBLQGT-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.58
Rot. Bonds4

About 2-bromo-N,N-diethyl-5-sulfamoylbenzamide

2-bromo-N,N-diethyl-5-sulfamoylbenzamide (PubChem CID 47101234) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-bromo-N,N-diethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N,N-diethyl-5-sulfamoylbenzamide
PubChem CID47101234
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name2-bromo-N,N-diethyl-5-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-3-14(4-2)11(15)9-7-8(18(13,16)17)5-6-10(9)12/h5-7H,3-4H2,1-2H3,(H2,13,16,17)
InChIKeyXUCHCJNOPBLQGT-UHFFFAOYSA-N
XLogP1.58
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
CID 55586408
2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide
CID 33031977
2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide
CID 65388515
2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47163482
2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 34889810
ethyl 2-bromo-5-sulfamoylbenzoate
CID 43828339
4-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65397831
2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65387463
methyl 2-bromo-5-sulfamoylbenzoate
CID 43828340
butyl 2-bromo-5-sulfamoylbenzoate
CID 60730717
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387640
4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide
CID 166390787

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-diethyl-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N,N-diethyl-5-sulfamoylbenzamide (CID 47101234) is 2-bromo-N,N-diethyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N,N-diethyl-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N,N-diethyl-5-sulfamoylbenzamide is CCN(CC)C(=O)c1cc(S(N)(=O)=O)ccc1Br.
What is the InChIKey of 2-bromo-N,N-diethyl-5-sulfamoylbenzamide?
The InChIKey is XUCHCJNOPBLQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-3-14(4-2)11(15)9-7-8(18(13,16)17)5-6-10(9)12/h5-7H,3-4H2,1-2H3,(H2,13,16,17).
What are the key properties of 2-bromo-N,N-diethyl-5-sulfamoylbenzamide?
2-bromo-N,N-diethyl-5-sulfamoylbenzamide has a molecular weight of 335.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-diethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 47101234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).