N-(3-oxobutyl)-4-sulfamoylbenzamide

C11H14N2O4S — CID 23579196

IUPACN-(3-oxobutyl)-4-sulfamoylbenzamide
SMILESCC(=O)CCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H14N2O4S/c1-8(14)6-7-13-11(15)9-2-4-10(5-3-9)18(12,16)17/h2-5H,6-7H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyBEMQTMJXUIWMKN-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.04
Rot. Bonds5

About N-(3-oxobutyl)-4-sulfamoylbenzamide

N-(3-oxobutyl)-4-sulfamoylbenzamide (PubChem CID 23579196) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(3-oxobutyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-oxobutyl)-4-sulfamoylbenzamide
PubChem CID23579196
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-(3-oxobutyl)-4-sulfamoylbenzamide
SMILESCC(=O)CCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H14N2O4S/c1-8(14)6-7-13-11(15)9-2-4-10(5-3-9)18(12,16)17/h2-5H,6-7H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyBEMQTMJXUIWMKN-UHFFFAOYSA-N
XLogP0.04
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-methylethanamine;N-propyl-4-sulfamoylbenzamide
CID 68599383
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate
CID 25181352
N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
CID 68610816
N-[2-[3-[2-[bis[3-oxo-3-[2-[(4-sulfamoylbenzoyl)amino]ethylamino]propyl]amino]ethyl-[3-oxo-3-[2-[(4-sulfamoylbenzoyl)amino]ethylamino]propyl]amino]propanoylamino]ethyl]-4-sulfamoylbenzamide
CID 122194134
N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide
CID 115590077
N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
CID 68609461
N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide
CID 79559148
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359507
N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
CID 103606595

Frequently Asked Questions

What is the IUPAC name of N-(3-oxobutyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(3-oxobutyl)-4-sulfamoylbenzamide (CID 23579196) is N-(3-oxobutyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(3-oxobutyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(3-oxobutyl)-4-sulfamoylbenzamide is CC(=O)CCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(3-oxobutyl)-4-sulfamoylbenzamide?
The InChIKey is BEMQTMJXUIWMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-8(14)6-7-13-11(15)9-2-4-10(5-3-9)18(12,16)17/h2-5H,6-7H2,1H3,(H,13,15)(H2,12,16,17).
What are the key properties of N-(3-oxobutyl)-4-sulfamoylbenzamide?
N-(3-oxobutyl)-4-sulfamoylbenzamide has a molecular weight of 270.31 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxobutyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 23579196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).