4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride

C11H11BrClNO4S — CID 65372749

IUPAC4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(S(=O)(=O)Cl)ccc1Br)N1CCOCC1
InChIInChI=1S/C11H11BrClNO4S/c12-10-2-1-8(19(13,16)17)7-9(10)11(15)14-3-5-18-6-4-14/h1-2,7H,3-6H2
InChIKeyWJUOJFQIPINMHF-UHFFFAOYSA-N
MW368.64 g/mol
LogP1.85
Rot. Bonds2

About 4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride

4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride (PubChem CID 65372749) has the molecular formula C11H11BrClNO4S and a molecular weight of 368.64 g/mol. Its IUPAC name is 4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride
PubChem CID65372749
Molecular FormulaC11H11BrClNO4S
Molecular Weight368.64 g/mol
Exact Mass366.93
IUPAC Name4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(S(=O)(=O)Cl)ccc1Br)N1CCOCC1
InChIInChI=1S/C11H11BrClNO4S/c12-10-2-1-8(19(13,16)17)7-9(10)11(15)14-3-5-18-6-4-14/h1-2,7H,3-6H2
InChIKeyWJUOJFQIPINMHF-UHFFFAOYSA-N
XLogP1.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370831
4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 81478255
(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
CID 32615367
2-bromo-5-morpholin-4-ylsulfonylbenzoic acid
CID 802146
4-bromo-3-(2-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397267
4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367295
4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
CID 62922553
[2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone
CID 91820756
2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65371595
2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride
CID 65371404
4-bromo-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 62732706

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride (CID 65372749) is 4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride is O=C(c1cc(S(=O)(=O)Cl)ccc1Br)N1CCOCC1.
What is the InChIKey of 4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The InChIKey is WJUOJFQIPINMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO4S/c12-10-2-1-8(19(13,16)17)7-9(10)11(15)14-3-5-18-6-4-14/h1-2,7H,3-6H2.
What are the key properties of 4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride?
4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride has a molecular weight of 368.64 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65372749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).