N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide

C14H21NO3S — CID 114246123

IUPACN-[4-(2-methylhexanoyl)phenyl]methanesulfonamide
SMILESCCCCC(C)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-4-5-6-11(2)14(16)12-7-9-13(10-8-12)15-19(3,17)18/h7-11,15H,4-6H2,1-3H3
InChIKeyOYMJVIPSDMVKLK-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.07
Rot. Bonds7

About N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide

N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide (PubChem CID 114246123) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylhexanoyl)phenyl]methanesulfonamide
PubChem CID114246123
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[4-(2-methylhexanoyl)phenyl]methanesulfonamide
SMILESCCCCC(C)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-4-5-6-11(2)14(16)12-7-9-13(10-8-12)15-19(3,17)18/h7-11,15H,4-6H2,1-3H3
InChIKeyOYMJVIPSDMVKLK-UHFFFAOYSA-N
XLogP3.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride
CID 22792478
N-(4-heptanoylphenyl)methanesulfonamide
CID 114752118
N-butyl-N-ethyl-4-(methanesulfonamido)benzamide
CID 35825214
(2S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2-methylhexanamide
CID 100733908
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42915712
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride
CID 45357491
1-[4-[4-(butoxyamino)phenyl]phenyl]-7,7-dihydroxy-2-methylheptan-1-one
CID 143314096
2-(ethylamino)-1-(4-methylphenyl)hexan-1-one
CID 165361446
2-methyl-5-methylsulfonyl-1-phenylpentan-1-one
CID 104844968
N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
CID 29357603

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide (CID 114246123) is N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide is CCCCC(C)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide?
The InChIKey is OYMJVIPSDMVKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-5-6-11(2)14(16)12-7-9-13(10-8-12)15-19(3,17)18/h7-11,15H,4-6H2,1-3H3.
What are the key properties of N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide?
N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide is sourced from PubChem (CID 114246123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).