5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide

C13H18BrClN2O3S — CID 65386809

IUPAC5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide
SMILESCCC(C)N(CC)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C13H18BrClN2O3S/c1-4-8(3)17(5-2)13(18)10-6-9(14)7-11(12(10)15)21(16,19)20/h6-8H,4-5H2,1-3H3,(H2,16,19,20)
InChIKeyFDFXRZRTMGNVLZ-UHFFFAOYSA-N
MW397.72 g/mol
LogP3.01
Rot. Bonds5

About 5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide

5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide (PubChem CID 65386809) has the molecular formula C13H18BrClN2O3S and a molecular weight of 397.72 g/mol. Its IUPAC name is 5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide
PubChem CID65386809
Molecular FormulaC13H18BrClN2O3S
Molecular Weight397.72 g/mol
Exact Mass395.99
IUPAC Name5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide
SMILESCCC(C)N(CC)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C13H18BrClN2O3S/c1-4-8(3)17(5-2)13(18)10-6-9(14)7-11(12(10)15)21(16,19)20/h6-8H,4-5H2,1-3H3,(H2,16,19,20)
InChIKeyFDFXRZRTMGNVLZ-UHFFFAOYSA-N
XLogP3.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.72
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide
CID 65373817
5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride
CID 65368879
5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide
CID 62000620
3,5-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107980072
2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107951577
5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766693
N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide
CID 65387000
N-butan-2-yl-N-ethyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387385
3-[butan-2-yl(ethyl)carbamoyl]-4-chlorobenzenesulfonyl chloride
CID 65370343
5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65370918
3-[butan-2-yl(ethyl)carbamoyl]-5-chloro-2-fluorobenzenesulfonyl chloride
CID 65372645
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
CID 43274768

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide (CID 65386809) is 5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide is CCC(C)N(CC)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide?
The InChIKey is FDFXRZRTMGNVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O3S/c1-4-8(3)17(5-2)13(18)10-6-9(14)7-11(12(10)15)21(16,19)20/h6-8H,4-5H2,1-3H3,(H2,16,19,20).
What are the key properties of 5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide?
5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide has a molecular weight of 397.72 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65386809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).