5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide

C14H20BrN3O3S — CID 120600489

IUPAC5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC2CCNC(C)C2)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H20BrN3O3S/c1-8-5-11(3-4-17-8)18-14(19)12-6-10(15)7-13(9(12)2)22(16,20)21/h6-8,11,17H,3-5H2,1-2H3,(H,18,19)(H2,16,20,21)
InChIKeyNNPRANKBZFMXFW-UHFFFAOYSA-N
MW390.30 g/mol
LogP1.28
Rot. Bonds3

About 5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide

5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide (PubChem CID 120600489) has the molecular formula C14H20BrN3O3S and a molecular weight of 390.30 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide
PubChem CID120600489
Molecular FormulaC14H20BrN3O3S
Molecular Weight390.30 g/mol
Exact Mass389.04
IUPAC Name5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC2CCNC(C)C2)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H20BrN3O3S/c1-8-5-11(3-4-17-8)18-14(19)12-6-10(15)7-13(9(12)2)22(16,20)21/h6-8,11,17H,3-5H2,1-2H3,(H,18,19)(H2,16,20,21)
InChIKeyNNPRANKBZFMXFW-UHFFFAOYSA-N
XLogP1.28
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride
CID 119512294
5-chloro-2-methyl-N-(3-methylcyclopentyl)-3-sulfamoylbenzamide
CID 114551529
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
CID 82891438
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
CID 120600731
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide (CID 120600489) is 5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide is Cc1c(C(=O)NC2CCNC(C)C2)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide?
The InChIKey is NNPRANKBZFMXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3S/c1-8-5-11(3-4-17-8)18-14(19)12-6-10(15)7-13(9(12)2)22(16,20)21/h6-8,11,17H,3-5H2,1-2H3,(H,18,19)(H2,16,20,21).
What are the key properties of 5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide?
5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide has a molecular weight of 390.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 120600489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).