1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate

C15H23NO4S — CID 101158794

IUPAC1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate
SMILESCCCCC(CNS(=O)(=O)c1ccc(C)cc1)OC(C)=O
InChIInChI=1S/C15H23NO4S/c1-4-5-6-14(20-13(3)17)11-16-21(18,19)15-9-7-12(2)8-10-15/h7-10,14,16H,4-6,11H2,1-3H3
InChIKeyOZNHNSRJFHNFRV-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.40
Rot. Bonds8

About 1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate

1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate (PubChem CID 101158794) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate.

Molecular Properties

Compound Name1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate
PubChem CID101158794
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate
SMILESCCCCC(CNS(=O)(=O)c1ccc(C)cc1)OC(C)=O
InChIInChI=1S/C15H23NO4S/c1-4-5-6-14(20-13(3)17)11-16-21(18,19)15-9-7-12(2)8-10-15/h7-10,14,16H,4-6,11H2,1-3H3
InChIKeyOZNHNSRJFHNFRV-UHFFFAOYSA-N
XLogP2.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
CID 135005405
N-(2-azidohexyl)-4-methylbenzenesulfonamide
CID 11266449
2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide
CID 134945858
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381
N-(2-bromo-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 141352763
N-[13-hydroxy-2-[[(4-methylphenyl)sulfonylamino]methyl]tridecyl]-4-methylbenzenesulfonamide
CID 19755985
4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide
CID 102455391
(2S)-2,3-bis[(4-methylphenyl)sulfonylamino]propanoic acid
CID 44722108
butyl (E)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
CID 132507052
N-[2,2-bis[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 175193129
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate?
The IUPAC name of 1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate (CID 101158794) is 1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate.
What is the SMILES notation for 1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate?
The canonical SMILES for 1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate is CCCCC(CNS(=O)(=O)c1ccc(C)cc1)OC(C)=O.
What is the InChIKey of 1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate?
The InChIKey is OZNHNSRJFHNFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-5-6-14(20-13(3)17)11-16-21(18,19)15-9-7-12(2)8-10-15/h7-10,14,16H,4-6,11H2,1-3H3.
What are the key properties of 1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate?
1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate has a molecular weight of 313.42 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate is sourced from PubChem (CID 101158794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).