2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine

C14H20ClNO2S — CID 104753824

IUPAC2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine
SMILESNC(CS(=O)(=O)c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C14H20ClNO2S/c15-12-8-4-5-9-14(12)19(17,18)10-13(16)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10,16H2
InChIKeyNJQOTTJRLODODW-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.02
Rot. Bonds4

About 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine

2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine (PubChem CID 104753824) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine
PubChem CID104753824
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine
SMILESNC(CS(=O)(=O)c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C14H20ClNO2S/c15-12-8-4-5-9-14(12)19(17,18)10-13(16)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10,16H2
InChIKeyNJQOTTJRLODODW-UHFFFAOYSA-N
XLogP3.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine
CID 104754082
1-cyclopentyl-2-(2-nitrophenyl)sulfonylethanamine
CID 104754042
1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine
CID 106584748
2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone
CID 115736295
1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine
CID 104753985
2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid
CID 65442832
2-benzylsulfonyl-1-cyclopentylethanamine
CID 104753906
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine
CID 103290291
4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol
CID 71317728
1-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-2-chlorobenzene
CID 64757505
2-[2-(2-chlorophenyl)sulfonylethyl]piperidine
CID 112741660
1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine
CID 64646053

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine (CID 104753824) is 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine is NC(CS(=O)(=O)c1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine?
The InChIKey is NJQOTTJRLODODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c15-12-8-4-5-9-14(12)19(17,18)10-13(16)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10,16H2.
What are the key properties of 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine?
2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine has a molecular weight of 301.84 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine is sourced from PubChem (CID 104753824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).