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

C13H19BrN2O3S — CID 81488768

IUPAC3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
SMILESCc1c(Br)cc(C(=O)NC(C)C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H19BrN2O3S/c1-7(2)9(4)16-13(17)10-5-11(14)8(3)12(6-10)20(15,18)19/h5-7,9H,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyQUBRQACBSBLNPF-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.18
Rot. Bonds4

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

3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide (PubChem CID 81488768) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
PubChem CID81488768
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
SMILESCc1c(Br)cc(C(=O)NC(C)C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H19BrN2O3S/c1-7(2)9(4)16-13(17)10-5-11(14)8(3)12(6-10)20(15,18)19/h5-7,9H,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyQUBRQACBSBLNPF-UHFFFAOYSA-N
XLogP2.18
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 65374852
3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide
CID 81479852
3-bromo-2-methoxy-5-(3-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370671
3-bromo-4-methyl-N-pentyl-5-sulfamoylbenzamide
CID 81488626
3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
CID 81479870
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
3-bromo-5-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 81488328
3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide
CID 82731669
N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 115769138
2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide
CID 42908120
5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65389241

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide (CID 81488768) is 3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide is Cc1c(Br)cc(C(=O)NC(C)C(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is QUBRQACBSBLNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-7(2)9(4)16-13(17)10-5-11(14)8(3)12(6-10)20(15,18)19/h5-7,9H,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide?
3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 363.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 81488768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).