(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide

C12H15ClN2O3S — CID 97414951

IUPAC(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
SMILESCS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C12H15ClN2O3S/c1-19(17,18)9-6-7-15(8-9)12(16)14-11-5-3-2-4-10(11)13/h2-5,9H,6-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyIEIQURSISYMIMP-SECBINFHSA-N
MW302.78 g/mol
LogP1.99
Rot. Bonds2

About (3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide

(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide (PubChem CID 97414951) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is (3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
PubChem CID97414951
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
SMILESCS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C12H15ClN2O3S/c1-19(17,18)9-6-7-15(8-9)12(16)14-11-5-3-2-4-10(11)13/h2-5,9H,6-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyIEIQURSISYMIMP-SECBINFHSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 90584758
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
CID 121197665
N-(3-chloro-4-methylsulfanylphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 122159559
N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide
CID 80552313
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 129373851
N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140017
methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate
CID 78927127
2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 90586861
(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 41097747

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide (CID 97414951) is (3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide is CS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of (3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide?
The InChIKey is IEIQURSISYMIMP-SECBINFHSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-19(17,18)9-6-7-15(8-9)12(16)14-11-5-3-2-4-10(11)13/h2-5,9H,6-8H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide?
(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide has a molecular weight of 302.78 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97414951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).