2-amino-N-ethyl-4-methylsulfonylbenzamide

C10H14N2O3S — CID 166594131

IUPAC2-amino-N-ethyl-4-methylsulfonylbenzamide
SMILESCCNC(=O)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C10H14N2O3S/c1-3-12-10(13)8-5-4-7(6-9(8)11)16(2,14)15/h4-6H,3,11H2,1-2H3,(H,12,13)
InChIKeyDORMELQKVYWYFM-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.42
Rot. Bonds3

About 2-amino-N-ethyl-4-methylsulfonylbenzamide

2-amino-N-ethyl-4-methylsulfonylbenzamide (PubChem CID 166594131) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methylsulfonylbenzamide
PubChem CID166594131
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-amino-N-ethyl-4-methylsulfonylbenzamide
SMILESCCNC(=O)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C10H14N2O3S/c1-3-12-10(13)8-5-4-7(6-9(8)11)16(2,14)15/h4-6H,3,11H2,1-2H3,(H,12,13)
InChIKeyDORMELQKVYWYFM-UHFFFAOYSA-N
XLogP0.42
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methylsulfonylbenzoate
CID 6930952
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide
CID 61476320
N-ethyl-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-5-methylsulfonylbenzamide
CID 143289124
(2-amino-4-methylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 166594141
2-amino-4-bromo-N-(4-methylsulfonylphenyl)benzamide
CID 79704047
(2-amino-4-methylsulfonylphenyl)methanol
CID 139269655
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-amino-4-bromo-N-(3-methylsulfonylphenyl)benzamide
CID 79704730
N-ethyl-4-sulfamoylbenzamide
CID 10242881
3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367572
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methylsulfonylbenzamide?
The IUPAC name of 2-amino-N-ethyl-4-methylsulfonylbenzamide (CID 166594131) is 2-amino-N-ethyl-4-methylsulfonylbenzamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methylsulfonylbenzamide?
The canonical SMILES for 2-amino-N-ethyl-4-methylsulfonylbenzamide is CCNC(=O)c1ccc(S(C)(=O)=O)cc1N.
What is the InChIKey of 2-amino-N-ethyl-4-methylsulfonylbenzamide?
The InChIKey is DORMELQKVYWYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-12-10(13)8-5-4-7(6-9(8)11)16(2,14)15/h4-6H,3,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-ethyl-4-methylsulfonylbenzamide?
2-amino-N-ethyl-4-methylsulfonylbenzamide has a molecular weight of 242.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 166594131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).