N-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine

C14H20ClNO2S — CID 2818889

IUPACN-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine
SMILESO=S(=O)(CCNC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c15-12-6-8-14(9-7-12)19(17,18)11-10-16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11H2
InChIKeyXOFWAPGMHFSSTA-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.04
Rot. Bonds5

About N-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine

N-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine (PubChem CID 2818889) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine
PubChem CID2818889
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC NameN-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine
SMILESO=S(=O)(CCNC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c15-12-6-8-14(9-7-12)19(17,18)11-10-16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11H2
InChIKeyXOFWAPGMHFSSTA-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2818795
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CID 2078300
2-(2-(Phenylsulfonyl)ethyl)piperidine hydrochloride
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4-chloro-N-cyclohexylbenzenesulfonamide
CID 766387
4-((4-Chlorophenyl)sulfonyl)piperidine hydrochloride
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2-(4-Chlorobenzenesulfonyl)ethan-1-amine hydrochloride
CID 13655036
1-[(4-chlorophenyl)sulfonyl]-N-cyclohexyl-1-cyclopropanecarboxamide
CID 3406656
4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclohexyl]benzenesulfonamide
CID 5206584
N'-[(3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-yl]hexane-1,6-diamine
CID 171354601
N'-[(3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxothiolan-3-yl]butane-1,4-diamine
CID 171357752

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine (CID 2818889) is N-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine is O=S(=O)(CCNC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine?
The InChIKey is XOFWAPGMHFSSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c15-12-6-8-14(9-7-12)19(17,18)11-10-16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11H2.
What are the key properties of N-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine?
N-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine has a molecular weight of 301.84 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonylethyl]cyclohexanamine is sourced from PubChem (CID 2818889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).