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

C11H14BrClN2O3S — CID 65373817

IUPAC5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide
SMILESCCC(C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C11H14BrClN2O3S/c1-3-6(2)15-11(16)8-4-7(12)5-9(10(8)13)19(14,17)18/h4-6H,3H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyJAXPZHKITUYOMM-UHFFFAOYSA-N
MW369.67 g/mol
LogP2.28
Rot. Bonds4

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

5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide (PubChem CID 65373817) has the molecular formula C11H14BrClN2O3S and a molecular weight of 369.67 g/mol. Its IUPAC name is 5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide
PubChem CID65373817
Molecular FormulaC11H14BrClN2O3S
Molecular Weight369.67 g/mol
Exact Mass367.96
IUPAC Name5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide
SMILESCCC(C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C11H14BrClN2O3S/c1-3-6(2)15-11(16)8-4-7(12)5-9(10(8)13)19(14,17)18/h4-6H,3H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyJAXPZHKITUYOMM-UHFFFAOYSA-N
XLogP2.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide
CID 65386809
5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766693
5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65387785
5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide
CID 65373125
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65389241
5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65386494
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
CID 107871970
4-bromo-N-butan-2-yl-2-hydroxybenzamide
CID 47435868
5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
CID 95786902

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide (CID 65373817) is 5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide is CCC(C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide?
The InChIKey is JAXPZHKITUYOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O3S/c1-3-6(2)15-11(16)8-4-7(12)5-9(10(8)13)19(14,17)18/h4-6H,3H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide?
5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide has a molecular weight of 369.67 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 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-3-sulfamoylbenzamide is sourced from PubChem (CID 65373817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).