2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

C11H12Cl2N2O3S — CID 60634969

IUPAC2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O3S/c12-8-6-9(13)10(19(14,17)18)5-7(8)11(16)15-3-1-2-4-15/h5-6H,1-4H2,(H2,14,17,18)
InChIKeyNTAYPQXZQJJIBI-UHFFFAOYSA-N
MW323.20 g/mol
LogP1.88
Rot. Bonds2

About 2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 60634969) has the molecular formula C11H12Cl2N2O3S and a molecular weight of 323.20 g/mol. Its IUPAC name is 2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID60634969
Molecular FormulaC11H12Cl2N2O3S
Molecular Weight323.20 g/mol
Exact Mass321.99
IUPAC Name2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O3S/c12-8-6-9(13)10(19(14,17)18)5-7(8)11(16)15-3-1-2-4-15/h5-6H,1-4H2,(H2,14,17,18)
InChIKeyNTAYPQXZQJJIBI-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

2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 79037290
2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 65373592
5-bromo-2-chloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 65376099
bis(2,4-dichloro-5-sulfamoylbenzoic acid);ethane-1,2-diamine
CID 50942703
1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 19257691
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976
5-(azepane-1-carbonyl)-2-bromo-3-chlorobenzenesulfonamide
CID 81291287
4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
CID 60875632
4-chloro-5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide
CID 79179813
2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 22109871
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonamide
CID 65375980
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 60634969) is 2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is NTAYPQXZQJJIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3S/c12-8-6-9(13)10(19(14,17)18)5-7(8)11(16)15-3-1-2-4-15/h5-6H,1-4H2,(H2,14,17,18).
What are the key properties of 2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
2,4-dichloro-5-(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 2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 60634969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).