4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide

C12H17BrN2O4S — CID 65380192

IUPAC4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
SMILESCOCCC(C)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H17BrN2O4S/c1-8(5-6-19-2)15-12(16)9-3-4-10(13)11(7-9)20(14,17)18/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyDYNBPVTZQOTFCA-UHFFFAOYSA-N
MW365.25 g/mol
LogP1.25
Rot. Bonds6

About 4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide

4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide (PubChem CID 65380192) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is 4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
PubChem CID65380192
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
SMILESCOCCC(C)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H17BrN2O4S/c1-8(5-6-19-2)15-12(16)9-3-4-10(13)11(7-9)20(14,17)18/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyDYNBPVTZQOTFCA-UHFFFAOYSA-N
XLogP1.25
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65381397
4-(dimethylamino)-N-(1-methoxypropan-2-yl)-3-sulfamoylbenzamide
CID 65375926
5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135
4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 38768051
2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65397858
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide
CID 103908423
N-butan-2-yl-4-methyl-3-sulfamoylbenzamide
CID 60681995
N-(1-ethoxypropan-2-yl)-4-methoxy-3-sulfamoylbenzamide
CID 65389004
4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65381406
N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
CID 60722617
4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide
CID 102851748

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide (CID 65380192) is 4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide is COCCC(C)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide?
The InChIKey is DYNBPVTZQOTFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-8(5-6-19-2)15-12(16)9-3-4-10(13)11(7-9)20(14,17)18/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide?
4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide has a molecular weight of 365.25 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65380192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).