2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide

C12H17ClN2O4S — CID 104600938

IUPAC2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide
SMILESCC(C)OCCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-8(2)19-6-5-15-12(16)10-7-9(20(14,17)18)3-4-11(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyZEVYSSJNNZULBU-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.14
Rot. Bonds6

About 2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide

2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide (PubChem CID 104600938) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide
PubChem CID104600938
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide
SMILESCC(C)OCCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-8(2)19-6-5-15-12(16)10-7-9(20(14,17)18)3-4-11(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyZEVYSSJNNZULBU-UHFFFAOYSA-N
XLogP1.14
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 104766605
2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 47101010
2-chloro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47101886
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766713
3-chloro-4-methyl-5-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 107100736
5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766693
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65371525
3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
CID 107100880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide (CID 104600938) is 2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide is CC(C)OCCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide?
The InChIKey is ZEVYSSJNNZULBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-8(2)19-6-5-15-12(16)10-7-9(20(14,17)18)3-4-11(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide?
2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide has a molecular weight of 320.80 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 104600938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).