(3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide

C15H21ClN2O3S — CID 97244120

IUPAC(3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-11(9-12-3-5-13(16)6-4-12)15(19)18-8-7-14(10-18)22(20,21)17-2/h3-6,11,14,17H,7-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyRJBBVFZWXKBYOR-SMDDNHRTSA-N
MW344.86 g/mol
LogP1.67
Rot. Bonds5

About (3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide

(3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide (PubChem CID 97244120) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is (3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide
PubChem CID97244120
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name(3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-11(9-12-3-5-13(16)6-4-12)15(19)18-8-7-14(10-18)22(20,21)17-2/h3-6,11,14,17H,7-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyRJBBVFZWXKBYOR-SMDDNHRTSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-chlorophenyl)-1-[3-[methylsulfonyl(propan-2-yl)amino]pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-(dimethylamino)propanamide
CID 23575026
2-methyl-1-[4-(methylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119560684
3-(4-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110420494
1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 110674012
N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide
CID 44577062
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119395730
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571
(3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide
CID 97158472
N-[1-[3-(4-chlorophenyl)-2-[[2-(methylamino)acetyl]amino]propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide
CID 11753741
N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119485391
2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 110355924
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 119410179

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide?
The IUPAC name of (3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide (CID 97244120) is (3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide.
What is the SMILES notation for (3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide?
The canonical SMILES for (3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide is CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide?
The InChIKey is RJBBVFZWXKBYOR-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-11(9-12-3-5-13(16)6-4-12)15(19)18-8-7-14(10-18)22(20,21)17-2/h3-6,11,14,17H,7-10H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of (3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide?
(3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide has a molecular weight of 344.86 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 97244120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).