6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine

C14H22ClNO2S — CID 106807693

IUPAC6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2S/c1-3-13(16-4-2)6-5-11-19(17,18)14-9-7-12(15)8-10-14/h7-10,13,16H,3-6,11H2,1-2H3
InChIKeyJWELSSKHAQDHSA-UHFFFAOYSA-N
MW303.85 g/mol
LogP3.28
Rot. Bonds8

About 6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine

6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine (PubChem CID 106807693) has the molecular formula C14H22ClNO2S and a molecular weight of 303.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine
PubChem CID106807693
Molecular FormulaC14H22ClNO2S
Molecular Weight303.85 g/mol
Exact Mass303.11
IUPAC Name6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2S/c1-3-13(16-4-2)6-5-11-19(17,18)14-9-7-12(15)8-10-14/h7-10,13,16H,3-6,11H2,1-2H3
InChIKeyJWELSSKHAQDHSA-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine?
The IUPAC name of 6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine (CID 106807693) is 6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine?
The canonical SMILES for 6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine is CCNC(CC)CCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine?
The InChIKey is JWELSSKHAQDHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-3-13(16-4-2)6-5-11-19(17,18)14-9-7-12(15)8-10-14/h7-10,13,16H,3-6,11H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine?
6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine has a molecular weight of 303.85 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine is sourced from PubChem (CID 106807693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).