4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine

C14H22ClNO2S — CID 114792092

IUPAC4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2S/c1-4-16-11(2)9-12(3)19(17,18)10-13-5-7-14(15)8-6-13/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyIOMNXHZWOIORKT-UHFFFAOYSA-N
MW303.86 g/mol
LogP3.03
Rot. Bonds7

About 4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine

4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine (PubChem CID 114792092) has the molecular formula C14H22ClNO2S and a molecular weight of 303.86 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine
PubChem CID114792092
Molecular FormulaC14H22ClNO2S
Molecular Weight303.86 g/mol
Exact Mass303.11
IUPAC Name4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2S/c1-4-16-11(2)9-12(3)19(17,18)10-13-5-7-14(15)8-6-13/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyIOMNXHZWOIORKT-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methylsulfonyl]pentan-2-one
CID 114792708
1-[(4-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylbutan-2-amine
CID 114792033
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide
CID 81353743
N-tert-butyl-2-[(4-chlorophenyl)methylsulfonyl]propanamide
CID 47162619
N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine
CID 64703972
2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide
CID 114232817
N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
CID 21355577
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide
CID 17225149
methyl 3-amino-2-[(4-chlorophenyl)methylsulfonyl]propanoate
CID 114242224
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylethanamine
CID 114791989
1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
CID 120664609
N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 106023482

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine?
The IUPAC name of 4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine (CID 114792092) is 4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine?
The canonical SMILES for 4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine is CCNC(C)CC(C)S(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine?
The InChIKey is IOMNXHZWOIORKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-4-16-11(2)9-12(3)19(17,18)10-13-5-7-14(15)8-6-13/h5-8,11-12,16H,4,9-10H2,1-3H3.
What are the key properties of 4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine?
4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine has a molecular weight of 303.86 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine is sourced from PubChem (CID 114792092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).