N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine

C14H22ClNO2S — CID 106512617

IUPACN-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine
SMILESCCCC(C)NCC(C)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO2S/c1-4-7-11(2)16-10-12(3)19(17,18)14-9-6-5-8-13(14)15/h5-6,8-9,11-12,16H,4,7,10H2,1-3H3
InChIKeyRYBPKQZQLJUMLX-UHFFFAOYSA-N
MW303.85 g/mol
LogP3.28
Rot. Bonds7

About N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine

N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine (PubChem CID 106512617) has the molecular formula C14H22ClNO2S and a molecular weight of 303.85 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine
PubChem CID106512617
Molecular FormulaC14H22ClNO2S
Molecular Weight303.85 g/mol
Exact Mass303.11
IUPAC NameN-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine
SMILESCCCC(C)NCC(C)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO2S/c1-4-7-11(2)16-10-12(3)19(17,18)14-9-6-5-8-13(14)15/h5-6,8-9,11-12,16H,4,7,10H2,1-3H3
InChIKeyRYBPKQZQLJUMLX-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

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

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Related Compounds

N-[2-(2-chlorophenyl)sulfonylpropyl]-3-methylbutan-1-amine
CID 106512669
3-(2-chlorophenyl)sulfonylheptan-4-amine
CID 64638212
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
CID 60898219
N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine
CID 106513123
1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide
CID 17257591
2-(2-chlorophenyl)sulfonylbutan-1-amine
CID 64699189
1-(2-chlorophenyl)sulfonylpropyl benzoate
CID 174700729
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
2,6-dichloro-N-pentan-2-ylaniline
CID 65469888
2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine?
The IUPAC name of N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine (CID 106512617) is N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine is CCCC(C)NCC(C)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine?
The InChIKey is RYBPKQZQLJUMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-4-7-11(2)16-10-12(3)19(17,18)14-9-6-5-8-13(14)15/h5-6,8-9,11-12,16H,4,7,10H2,1-3H3.
What are the key properties of N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine?
N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine has a molecular weight of 303.85 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine is sourced from PubChem (CID 106512617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).