N-ethyl-3-sulfamoylbenzamide

C9H12N2O3S — CID 43089872

IUPACN-ethyl-3-sulfamoylbenzamide
SMILESCCNC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H12N2O3S/c1-2-11-9(12)7-4-3-5-8(6-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyNCFCRVHZKBSWRR-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.08
Rot. Bonds3

About N-ethyl-3-sulfamoylbenzamide

N-ethyl-3-sulfamoylbenzamide (PubChem CID 43089872) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-ethyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-sulfamoylbenzamide
PubChem CID43089872
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-ethyl-3-sulfamoylbenzamide
SMILESCCNC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H12N2O3S/c1-2-11-9(12)7-4-3-5-8(6-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyNCFCRVHZKBSWRR-UHFFFAOYSA-N
XLogP0.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide
CID 48630521
3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide
CID 55641528
N-[[2-(methoxymethyl)phenyl]methyl]-3-sulfamoylbenzamide
CID 34684530
3-butanoylbenzenesulfonamide
CID 63839666
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
N-ethyl-3-hydroxybenzamide
CID 13175248
N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide
CID 103606594
N-(2-prop-2-ynylsulfanylethyl)-3-sulfamoylbenzamide
CID 113240176
3-(aminomethyl)-N-ethylbenzamide
CID 16777664

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-sulfamoylbenzamide?
The IUPAC name of N-ethyl-3-sulfamoylbenzamide (CID 43089872) is N-ethyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-ethyl-3-sulfamoylbenzamide?
The canonical SMILES for N-ethyl-3-sulfamoylbenzamide is CCNC(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-ethyl-3-sulfamoylbenzamide?
The InChIKey is NCFCRVHZKBSWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-2-11-9(12)7-4-3-5-8(6-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of N-ethyl-3-sulfamoylbenzamide?
N-ethyl-3-sulfamoylbenzamide has a molecular weight of 228.27 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-sulfamoylbenzamide is sourced from PubChem (CID 43089872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).