2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride

C11H13BrClNO3S — CID 65369018

IUPAC2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride
SMILESCCN(CC)C(=O)c1ccc(Br)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H13BrClNO3S/c1-3-14(4-2)11(15)8-5-6-9(12)10(7-8)18(13,16)17/h5-7H,3-4H2,1-2H3
InChIKeyNZYRRORXVCIPID-UHFFFAOYSA-N
MW354.65 g/mol
LogP2.86
Rot. Bonds4

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

2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65369018) has the molecular formula C11H13BrClNO3S and a molecular weight of 354.65 g/mol. Its IUPAC name is 2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride
PubChem CID65369018
Molecular FormulaC11H13BrClNO3S
Molecular Weight354.65 g/mol
Exact Mass352.95
IUPAC Name2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride
SMILESCCN(CC)C(=O)c1ccc(Br)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H13BrClNO3S/c1-3-14(4-2)11(15)8-5-6-9(12)10(7-8)18(13,16)17/h5-7H,3-4H2,1-2H3
InChIKeyNZYRRORXVCIPID-UHFFFAOYSA-N
XLogP2.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.65
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65370836
2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65372640
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
propyl 4-bromo-3-chlorosulfonylbenzoate
CID 65396719
2-bromo-5-[ethyl(2-methylpropyl)carbamoyl]-3-fluorobenzenesulfonyl chloride
CID 65372257
5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65372594
2-bromo-5-(2,3,3-trimethylbutylcarbamoyl)benzenesulfonyl chloride
CID 83145232
2-bromo-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65368304
2-bromo-5-[ethyl(2-methylpropyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371490
5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride
CID 65368879
4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 81308136
3,3-dimethylbutyl 4-bromo-3-chlorosulfonylbenzoate
CID 66225554

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride (CID 65369018) is 2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride is CCN(CC)C(=O)c1ccc(Br)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is NZYRRORXVCIPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO3S/c1-3-14(4-2)11(15)8-5-6-9(12)10(7-8)18(13,16)17/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride?
2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 354.65 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65369018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).