1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide

C12H17ClN2O2S — CID 122557133

IUPAC1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NC[C@H]1CCCN1
InChIInChI=1S/C12H17ClN2O2S/c13-11-4-1-3-10(7-11)9-18(16,17)15-8-12-5-2-6-14-12/h1,3-4,7,12,14-15H,2,5-6,8-9H2/t12-/m1/s1
InChIKeyZHKQYSPRZZVEHH-GFCCVEGCSA-N
MW288.80 g/mol
LogP1.51
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide

1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide (PubChem CID 122557133) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
PubChem CID122557133
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NC[C@H]1CCCN1
InChIInChI=1S/C12H17ClN2O2S/c13-11-4-1-3-10(7-11)9-18(16,17)15-8-12-5-2-6-14-12/h1,3-4,7,12,14-15H,2,5-6,8-9H2/t12-/m1/s1
InChIKeyZHKQYSPRZZVEHH-GFCCVEGCSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081
1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 97165900
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
N-[[(2R)-piperidin-2-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165898
2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
CID 119974202
1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972420
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
2-[(3-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071001
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540409
N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride
CID 71645651

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide (CID 122557133) is 1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NC[C@H]1CCCN1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide?
The InChIKey is ZHKQYSPRZZVEHH-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c13-11-4-1-3-10(7-11)9-18(16,17)15-8-12-5-2-6-14-12/h1,3-4,7,12,14-15H,2,5-6,8-9H2/t12-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 122557133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).