2-(3-chlorophenyl)sulfonyl-1-phenylethanamine

C14H14ClNO2S — CID 64675228

IUPAC2-(3-chlorophenyl)sulfonyl-1-phenylethanamine
SMILESNC(CS(=O)(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H14ClNO2S/c15-12-7-4-8-13(9-12)19(17,18)10-14(16)11-5-2-1-3-6-11/h1-9,14H,10,16H2
InChIKeyLTOPROBDRSDBII-UHFFFAOYSA-N
MW295.79 g/mol
LogP2.81
Rot. Bonds4

About 2-(3-chlorophenyl)sulfonyl-1-phenylethanamine

2-(3-chlorophenyl)sulfonyl-1-phenylethanamine (PubChem CID 64675228) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-1-phenylethanamine
PubChem CID64675228
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name2-(3-chlorophenyl)sulfonyl-1-phenylethanamine
SMILESNC(CS(=O)(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H14ClNO2S/c15-12-7-4-8-13(9-12)19(17,18)10-14(16)11-5-2-1-3-6-11/h1-9,14H,10,16H2
InChIKeyLTOPROBDRSDBII-UHFFFAOYSA-N
XLogP2.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64674038
2-(benzenesulfonyl)-1-(3,4-difluorophenyl)ethanamine
CID 82359948
2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol
CID 106585025
1-(3-chlorophenyl)sulfonyl-3-methylpentan-2-ol
CID 106585027
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
3-(3-chlorophenyl)sulfonylpropan-1-amine
CID 28753143
2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64646152
1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine
CID 64675422
(2R)-2-[(3-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 51472168
2-[2-(3-chlorophenyl)sulfonylethyl]aniline
CID 55101756
(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine
CID 115811597
potassium 3-chlorobenzenesulfonamide
CID 19353487

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-1-phenylethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-1-phenylethanamine (CID 64675228) is 2-(3-chlorophenyl)sulfonyl-1-phenylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-1-phenylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-1-phenylethanamine is NC(CS(=O)(=O)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-1-phenylethanamine?
The InChIKey is LTOPROBDRSDBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-12-7-4-8-13(9-12)19(17,18)10-14(16)11-5-2-1-3-6-11/h1-9,14H,10,16H2.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-1-phenylethanamine?
2-(3-chlorophenyl)sulfonyl-1-phenylethanamine has a molecular weight of 295.79 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-1-phenylethanamine is sourced from PubChem (CID 64675228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).