(2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine

C16H18ClNO4S — CID 9167712

IUPAC(2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](CN)S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H18ClNO4S/c1-21-14-8-3-11(9-15(14)22-2)16(10-18)23(19,20)13-6-4-12(17)5-7-13/h3-9,16H,10,18H2,1-2H3/t16-/m1/s1
InChIKeyMGRXLSKHQYHCKF-MRXNPFEDSA-N
MW355.84 g/mol
LogP2.83
Rot. Bonds6

About (2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine

(2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine (PubChem CID 9167712) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine
PubChem CID9167712
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name(2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](CN)S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H18ClNO4S/c1-21-14-8-3-11(9-15(14)22-2)16(10-18)23(19,20)13-6-4-12(17)5-7-13/h3-9,16H,10,18H2,1-2H3/t16-/m1/s1
InChIKeyMGRXLSKHQYHCKF-MRXNPFEDSA-N
XLogP2.83
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine
CID 9167758
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167401
(2R)-2-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenyl)ethanamine
CID 9167310
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767
N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide
CID 2316867
2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol
CID 117037392
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethyl]azanium
CID 9167400
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 41193078
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
3-[3-(4-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)sulfonyl-N-hydroxypropanamide
CID 22463227
3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine
CID 82139388

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine?
The IUPAC name of (2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine (CID 9167712) is (2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for (2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine is COc1ccc([C@@H](CN)S(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of (2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine?
The InChIKey is MGRXLSKHQYHCKF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-21-14-8-3-11(9-15(14)22-2)16(10-18)23(19,20)13-6-4-12(17)5-7-13/h3-9,16H,10,18H2,1-2H3/t16-/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine?
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine has a molecular weight of 355.84 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 9167712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).