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

C13H20ClNO2S — CID 106807694

IUPAC6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine
SMILESCCC(CCCS(=O)(=O)c1ccc(Cl)cc1)NC
InChIInChI=1S/C13H20ClNO2S/c1-3-12(15-2)5-4-10-18(16,17)13-8-6-11(14)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3
InChIKeySLWBTLVTNUTXGG-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.89
Rot. Bonds7

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

6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine (PubChem CID 106807694) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine
PubChem CID106807694
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC Name6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine
SMILESCCC(CCCS(=O)(=O)c1ccc(Cl)cc1)NC
InChIInChI=1S/C13H20ClNO2S/c1-3-12(15-2)5-4-10-18(16,17)13-8-6-11(14)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3
InChIKeySLWBTLVTNUTXGG-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine
CID 106807693
5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
N-[3-(4-chlorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
CID 64639801
(2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine
CID 7004618
1-(3-bromopropylsulfonyl)-4-chlorobenzene
CID 10827889
1-chloro-4-(4-chlorobutylsulfonyl)benzene
CID 21272154
5-(4-chlorophenyl)sulfonylpentan-1-amine
CID 22617016
N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide
CID 96564832
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 8874156
1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
CID 64647341
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine?
The IUPAC name of 6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine (CID 106807694) is 6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine?
The canonical SMILES for 6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine is CCC(CCCS(=O)(=O)c1ccc(Cl)cc1)NC.
What is the InChIKey of 6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine?
The InChIKey is SLWBTLVTNUTXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-3-12(15-2)5-4-10-18(16,17)13-8-6-11(14)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine?
6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine has a molecular weight of 289.83 g/mol, XLogP of 2.89, 7 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-methylhexan-3-amine is sourced from PubChem (CID 106807694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).