2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

C11H14Cl2N2O2S — CID 63298034

IUPAC2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O2S/c1-15(9-4-5-14-7-9)18(16,17)11-6-8(12)2-3-10(11)13/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyOSLFWGZBTOWHMH-UHFFFAOYSA-N
MW309.22 g/mol
LogP1.98
Rot. Bonds3

About 2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63298034) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63298034
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O2S/c1-15(9-4-5-14-7-9)18(16,17)11-6-8(12)2-3-10(11)13/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyOSLFWGZBTOWHMH-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709937
4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119978801
2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298118
2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118129
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55172954
2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751
4-bromo-2,3-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709932
N-(azepan-4-yl)-5-chloro-2-cyano-N-methylbenzenesulfonamide
CID 107172940
4-chloro-3-cyano-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978766
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245
2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642660

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63298034) is 2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is CN(C1CCNC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is OSLFWGZBTOWHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c1-15(9-4-5-14-7-9)18(16,17)11-6-8(12)2-3-10(11)13/h2-3,6,9,14H,4-5,7H2,1H3.
What are the key properties of 2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 309.22 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63298034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).