5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride

C11H12BrCl2NO3S — CID 65368879

IUPAC5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride
SMILESCCN(CC)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C11H12BrCl2NO3S/c1-3-15(4-2)11(16)8-5-7(12)6-9(10(8)13)19(14,17)18/h5-6H,3-4H2,1-2H3
InChIKeyITHMFHBNLNFQKA-UHFFFAOYSA-N
MW389.10 g/mol
LogP3.51
Rot. Bonds4

About 5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride

5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65368879) has the molecular formula C11H12BrCl2NO3S and a molecular weight of 389.10 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride
PubChem CID65368879
Molecular FormulaC11H12BrCl2NO3S
Molecular Weight389.10 g/mol
Exact Mass386.91
IUPAC Name5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride
SMILESCCN(CC)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C11H12BrCl2NO3S/c1-3-15(4-2)11(16)8-5-7(12)6-9(10(8)13)19(14,17)18/h5-6H,3-4H2,1-2H3
InChIKeyITHMFHBNLNFQKA-UHFFFAOYSA-N
XLogP3.51
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.10
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65372431
5-bromo-3-(butylcarbamoyl)-2-chlorobenzenesulfonyl chloride
CID 65367692
5-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]-2-fluorobenzenesulfonyl chloride
CID 65396485
5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide
CID 65386809
5-bromo-2-chloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370282
2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride
CID 65369018
2-bromo-5-[ethyl(2-methylpropyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371490
5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride
CID 65368924
5-bromo-3-[cyclopropyl(propyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370705
4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
CID 23857395
propyl 5-bromo-3-chlorosulfonyl-2-methylbenzoate
CID 65396915
5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65372670

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride (CID 65368879) is 5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride is CCN(CC)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is ITHMFHBNLNFQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO3S/c1-3-15(4-2)11(16)8-5-7(12)6-9(10(8)13)19(14,17)18/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride?
5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 389.10 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65368879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).