4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

C11H15ClN2O2S — CID 63298347

IUPAC4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2S/c1-14(10-6-7-13-8-10)17(15,16)11-4-2-9(12)3-5-11/h2-5,10,13H,6-8H2,1H3
InChIKeyJFEMEEBRGJWDEO-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.32
Rot. Bonds3

About 4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63298347) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63298347
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2S/c1-14(10-6-7-13-8-10)17(15,16)11-4-2-9(12)3-5-11/h2-5,10,13H,6-8H2,1H3
InChIKeyJFEMEEBRGJWDEO-UHFFFAOYSA-N
XLogP1.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120875073
N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55136438
2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298034
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
4-chloro-3-cyano-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978766
2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751
N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 44592154
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63298347) is 4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is CN(C1CCNC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is JFEMEEBRGJWDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-14(10-6-7-13-8-10)17(15,16)11-4-2-9(12)3-5-11/h2-5,10,13H,6-8H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 274.77 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63298347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).