[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine

C17H18ClNO3S — CID 124859233

IUPAC[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1ccc([C@@H]2[C@H](CN)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-22-13-6-2-11(3-7-13)16-15(10-19)17(16)23(20,21)14-8-4-12(18)5-9-14/h2-9,15-17H,10,19H2,1H3/t15-,16+,17+/m0/s1
InChIKeyXCQKJOUSZUTRPT-GVDBMIGSSA-N
MW351.86 g/mol
LogP2.86
Rot. Bonds5

About [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine

[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine (PubChem CID 124859233) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine
PubChem CID124859233
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1ccc([C@@H]2[C@H](CN)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-22-13-6-2-11(3-7-13)16-15(10-19)17(16)23(20,21)14-8-4-12(18)5-9-14/h2-9,15-17H,10,19H2,1H3/t15-,16+,17+/m0/s1
InChIKeyXCQKJOUSZUTRPT-GVDBMIGSSA-N
XLogP2.86
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 124858189
[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124745204
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124858614
[(1R,2R,3S)-1-amino-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124748757
[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine
CID 124746264
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine
CID 102570777
2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine
CID 102569327
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methoxyphenyl)cyclopropane-1-carbonitrile
CID 124746706
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(ethoxymethyl)-3-(4-methoxyphenyl)cyclopropane-1-carbothioamide
CID 124748806
2-(4-chlorophenyl)sulfonyl-1-formyl-3-(4-methoxyphenyl)cyclopropane-1-carbonitrile
CID 102569369

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine (CID 124859233) is [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine is COc1ccc([C@@H]2[C@H](CN)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine?
The InChIKey is XCQKJOUSZUTRPT-GVDBMIGSSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-22-13-6-2-11(3-7-13)16-15(10-19)17(16)23(20,21)14-8-4-12(18)5-9-14/h2-9,15-17H,10,19H2,1H3/t15-,16+,17+/m0/s1.
What are the key properties of [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine?
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine has a molecular weight of 351.86 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 124859233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).