5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide

C14H19BrN2O3S — CID 65388884

IUPAC5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC(C)CC2CC2)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H19BrN2O3S/c1-8(5-10-3-4-10)17-14(18)12-6-11(15)7-13(9(12)2)21(16,19)20/h6-8,10H,3-5H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyWKNXYIBXAXVYTE-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.32
Rot. Bonds5

About 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide

5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide (PubChem CID 65388884) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
PubChem CID65388884
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC(C)CC2CC2)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H19BrN2O3S/c1-8(5-10-3-4-10)17-14(18)12-6-11(15)7-13(9(12)2)21(16,19)20/h6-8,10H,3-5H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyWKNXYIBXAXVYTE-UHFFFAOYSA-N
XLogP2.32
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150
5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65387785
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695
5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
CID 95786902
5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide
CID 65373125
5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65389241
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide
CID 113235026
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65375575
N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 63994388
5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride
CID 119512294
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide
CID 65388297
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide (CID 65388884) is 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide is Cc1c(C(=O)NC(C)CC2CC2)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide?
The InChIKey is WKNXYIBXAXVYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-8(5-10-3-4-10)17-14(18)12-6-11(15)7-13(9(12)2)21(16,19)20/h6-8,10H,3-5H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide?
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide has a molecular weight of 375.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65388884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).