(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide

C18H25ClN2O3S — CID 71456569

IUPAC(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C18H25ClN2O3S/c1-13-15(19)9-5-11-17(13)25(23,24)21-12-6-10-16(21)18(22)20-14-7-3-2-4-8-14/h5,9,11,14,16H,2-4,6-8,10,12H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyHJDHXRWDPKGUID-MRXNPFEDSA-N
MW384.93 g/mol
LogP3.25
Rot. Bonds4

About (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide

(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide (PubChem CID 71456569) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
PubChem CID71456569
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C18H25ClN2O3S/c1-13-15(19)9-5-11-17(13)25(23,24)21-12-6-10-16(21)18(22)20-14-7-3-2-4-8-14/h5,9,11,14,16H,2-4,6-8,10,12H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyHJDHXRWDPKGUID-MRXNPFEDSA-N
XLogP3.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide (CID 71456569) is (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide?
The InChIKey is HJDHXRWDPKGUID-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c1-13-15(19)9-5-11-17(13)25(23,24)21-12-6-10-16(21)18(22)20-14-7-3-2-4-8-14/h5,9,11,14,16H,2-4,6-8,10,12H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide?
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide has a molecular weight of 384.93 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71456569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).