2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

C11H12Cl2N2O3S — CID 65373592

IUPAC2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)cc(C(=O)N2CCCC2)c1Cl
InChIInChI=1S/C11H12Cl2N2O3S/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)
InChIKeyXFEAHYJOFWXMHH-UHFFFAOYSA-N
MW323.20 g/mol
LogP1.88
Rot. Bonds2

About 2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 65373592) has the molecular formula C11H12Cl2N2O3S and a molecular weight of 323.20 g/mol. Its IUPAC name is 2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID65373592
Molecular FormulaC11H12Cl2N2O3S
Molecular Weight323.20 g/mol
Exact Mass321.99
IUPAC Name2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)cc(C(=O)N2CCCC2)c1Cl
InChIInChI=1S/C11H12Cl2N2O3S/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)
InChIKeyXFEAHYJOFWXMHH-UHFFFAOYSA-N
XLogP1.88
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 65375063
5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 65376099
2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388192
2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 60634969
5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 82878062
4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
CID 60875632
5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide
CID 79179811
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonamide
CID 65375980
5-(azepane-1-carbonyl)-2-bromo-3-chlorobenzenesulfonamide
CID 81291287
3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide
CID 62090446
2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate
CID 65380265
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 65373592) is 2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1cc(Cl)cc(C(=O)N2CCCC2)c1Cl.
What is the InChIKey of 2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is XFEAHYJOFWXMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3S/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 2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 323.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 65373592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).