4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol

C13H20ClNO3S — CID 115665717

IUPAC4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO3S/c1-11(16)7-8-15(2)9-10-19(17,18)13-5-3-12(14)4-6-13/h3-6,11,16H,7-10H2,1-2H3
InChIKeyCLCLUMGQMXQKRE-UHFFFAOYSA-N
MW305.83 g/mol
LogP1.82
Rot. Bonds7

About 4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol

4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol (PubChem CID 115665717) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol
PubChem CID115665717
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO3S/c1-11(16)7-8-15(2)9-10-19(17,18)13-5-3-12(14)4-6-13/h3-6,11,16H,7-10H2,1-2H3
InChIKeyCLCLUMGQMXQKRE-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652731
2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide
CID 47446513
2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 17496506
1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
CID 106584897
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399
(E)-3-(4-chlorophenyl)-N-(3-hydroxybutyl)-N-methylprop-2-enamide
CID 113248547
N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide
CID 64698778
3-[2-(4-chlorophenyl)sulfonylethyl-ethylamino]propanoic acid
CID 61010760
2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 106636374

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol?
The IUPAC name of 4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol (CID 115665717) is 4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol?
The canonical SMILES for 4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol is CC(O)CCN(C)CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol?
The InChIKey is CLCLUMGQMXQKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-11(16)7-8-15(2)9-10-19(17,18)13-5-3-12(14)4-6-13/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of 4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol?
4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol has a molecular weight of 305.83 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol is sourced from PubChem (CID 115665717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).