3-(diethylsulfamoyl)benzoyl chloride

C11H14ClNO3S — CID 7730328

IUPAC3-(diethylsulfamoyl)benzoyl chloride
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Cl)c1
InChIInChI=1S/C11H14ClNO3S/c1-3-13(4-2)17(15,16)10-7-5-6-9(8-10)11(12)14/h5-8H,3-4H2,1-2H3
InChIKeyCIZDPVHGLISRBR-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.10
Rot. Bonds5

About 3-(diethylsulfamoyl)benzoyl chloride

3-(diethylsulfamoyl)benzoyl chloride (PubChem CID 7730328) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)benzoyl chloride.

Molecular Properties

Compound Name3-(diethylsulfamoyl)benzoyl chloride
PubChem CID7730328
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name3-(diethylsulfamoyl)benzoyl chloride
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Cl)c1
InChIInChI=1S/C11H14ClNO3S/c1-3-13(4-2)17(15,16)10-7-5-6-9(8-10)11(12)14/h5-8H,3-4H2,1-2H3
InChIKeyCIZDPVHGLISRBR-UHFFFAOYSA-N
XLogP2.10
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine
CID 161004191
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573
2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103101549
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide
CID 78970274
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)benzoate
CID 2678014

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)benzoyl chloride?
The IUPAC name of 3-(diethylsulfamoyl)benzoyl chloride (CID 7730328) is 3-(diethylsulfamoyl)benzoyl chloride.
What is the SMILES notation for 3-(diethylsulfamoyl)benzoyl chloride?
The canonical SMILES for 3-(diethylsulfamoyl)benzoyl chloride is CCN(CC)S(=O)(=O)c1cccc(C(=O)Cl)c1.
What is the InChIKey of 3-(diethylsulfamoyl)benzoyl chloride?
The InChIKey is CIZDPVHGLISRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-3-13(4-2)17(15,16)10-7-5-6-9(8-10)11(12)14/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-(diethylsulfamoyl)benzoyl chloride?
3-(diethylsulfamoyl)benzoyl chloride has a molecular weight of 275.76 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)benzoyl chloride is sourced from PubChem (CID 7730328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).