5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

C11H12BrClN2O3S — CID 65376099

IUPAC5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(C(=O)N2CCCC2)c1Cl
InChIInChI=1S/C11H12BrClN2O3S/c12-7-5-8(11(16)15-3-1-2-4-15)10(13)9(6-7)19(14,17)18/h5-6H,1-4H2,(H2,14,17,18)
InChIKeyVWUDIYBGWIXINQ-UHFFFAOYSA-N
MW367.65 g/mol
LogP1.99
Rot. Bonds2

About 5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 65376099) has the molecular formula C11H12BrClN2O3S and a molecular weight of 367.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID65376099
Molecular FormulaC11H12BrClN2O3S
Molecular Weight367.65 g/mol
Exact Mass365.94
IUPAC Name5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(C(=O)N2CCCC2)c1Cl
InChIInChI=1S/C11H12BrClN2O3S/c12-7-5-8(11(16)15-3-1-2-4-15)10(13)9(6-7)19(14,17)18/h5-6H,1-4H2,(H2,14,17,18)
InChIKeyVWUDIYBGWIXINQ-UHFFFAOYSA-N
XLogP1.99
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.65
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 65373592
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonamide
CID 65375980
5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388766
2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 60634969
5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65367050
2,5-dichloro-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 65375063
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonyl chloride
CID 65368024
5-(azepane-1-carbonyl)-2-bromo-3-chlorobenzenesulfonamide
CID 81291287
4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
CID 60875632
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide
CID 65373817
(3-amino-5-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone
CID 107871959

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 65376099) is 5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1cc(Br)cc(C(=O)N2CCCC2)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is VWUDIYBGWIXINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O3S/c12-7-5-8(11(16)15-3-1-2-4-15)10(13)9(6-7)19(14,17)18/h5-6H,1-4H2,(H2,14,17,18).
What are the key properties of 5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 367.65 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 65376099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).