4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

C13H19ClN2O2S — CID 63299791

IUPAC4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C13H19ClN2O2S/c1-3-16(12-6-7-15-9-12)19(17,18)13-5-4-11(14)8-10(13)2/h4-5,8,12,15H,3,6-7,9H2,1-2H3
InChIKeyATEYBEIURDMQSX-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.02
Rot. Bonds4

About 4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63299791) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63299791
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C13H19ClN2O2S/c1-3-16(12-6-7-15-9-12)19(17,18)13-5-4-11(14)8-10(13)2/h4-5,8,12,15H,3,6-7,9H2,1-2H3
InChIKeyATEYBEIURDMQSX-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide
CID 63636247
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481
N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 60805705
4-bromo-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 116527878
N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299793
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 55206101
N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide
CID 167753269
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205910
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806262

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63299791) is 4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is CCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is ATEYBEIURDMQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-3-16(12-6-7-15-9-12)19(17,18)13-5-4-11(14)8-10(13)2/h4-5,8,12,15H,3,6-7,9H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63299791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).