2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride

C11H10BrCl2NO4S — CID 65370831

IUPAC2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(S(=O)(=O)Cl)c(Br)cc1Cl)N1CCOCC1
InChIInChI=1S/C11H10BrCl2NO4S/c12-8-6-9(13)7(5-10(8)20(14,17)18)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2
InChIKeyWZACEOUZQLIROU-UHFFFAOYSA-N
MW403.08 g/mol
LogP2.50
Rot. Bonds2

About 2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride

2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride (PubChem CID 65370831) has the molecular formula C11H10BrCl2NO4S and a molecular weight of 403.08 g/mol. Its IUPAC name is 2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
PubChem CID65370831
Molecular FormulaC11H10BrCl2NO4S
Molecular Weight403.08 g/mol
Exact Mass400.89
IUPAC Name2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(S(=O)(=O)Cl)c(Br)cc1Cl)N1CCOCC1
InChIInChI=1S/C11H10BrCl2NO4S/c12-8-6-9(13)7(5-10(8)20(14,17)18)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2
InChIKeyWZACEOUZQLIROU-UHFFFAOYSA-N
XLogP2.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.08
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65371595
4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65372749
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride
CID 65371404
2,5-dichloro-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 65375063
2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 60634969
(4S)-1-[2,4-dichloro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-4-phenylpyrrolidin-2-one
CID 27160950
(4-bromothiophen-3-yl)-morpholin-4-ylmethanone
CID 146012637
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 81478255
3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 65375991
2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370060

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride (CID 65370831) is 2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride is O=C(c1cc(S(=O)(=O)Cl)c(Br)cc1Cl)N1CCOCC1.
What is the InChIKey of 2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The InChIKey is WZACEOUZQLIROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2NO4S/c12-8-6-9(13)7(5-10(8)20(14,17)18)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2.
What are the key properties of 2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride has a molecular weight of 403.08 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65370831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).