1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide

C15H23ClN2O2S — CID 131915599

IUPAC1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCCN(CCN1CCCC1)S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2S/c1-2-18(11-10-17-8-3-4-9-17)21(19,20)13-14-6-5-7-15(16)12-14/h5-7,12H,2-4,8-11,13H2,1H3
InChIKeyUNHWYLZAZBMJTQ-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.59
Rot. Bonds7

About 1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide

1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 131915599) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID131915599
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCCN(CCN1CCCC1)S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2S/c1-2-18(11-10-17-8-3-4-9-17)21(19,20)13-14-6-5-7-15(16)12-14/h5-7,12H,2-4,8-11,13H2,1H3
InChIKeyUNHWYLZAZBMJTQ-UHFFFAOYSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 71918194
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
N-(2-cyanoethyl)-N-ethyl-1-phenylmethanesulfonamide
CID 54992479
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025
1-[(3-chlorophenyl)methylsulfonyl]piperidine-2-carboxylic acid
CID 122070195
N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
CID 110755749
N-methyl-2-phenyl-N-(2-piperidin-1-ylethyl)ethanesulfonamide
CID 110753480
2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide
CID 47162178
N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 131915599) is 1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide is CCN(CCN1CCCC1)S(=O)(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is UNHWYLZAZBMJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-2-18(11-10-17-8-3-4-9-17)21(19,20)13-14-6-5-7-15(16)12-14/h5-7,12H,2-4,8-11,13H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 131915599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).