N-(4-heptanoylphenyl)methanesulfonamide

C14H21NO3S — CID 114752118

IUPACN-(4-heptanoylphenyl)methanesulfonamide
SMILESCCCCCCC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-3-4-5-6-7-14(16)12-8-10-13(11-9-12)15-19(2,17)18/h8-11,15H,3-7H2,1-2H3
InChIKeyRFKZJFGTLCDHEJ-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.21
Rot. Bonds8

About N-(4-heptanoylphenyl)methanesulfonamide

N-(4-heptanoylphenyl)methanesulfonamide (PubChem CID 114752118) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(4-heptanoylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-heptanoylphenyl)methanesulfonamide
PubChem CID114752118
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(4-heptanoylphenyl)methanesulfonamide
SMILESCCCCCCC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-3-4-5-6-7-14(16)12-8-10-13(11-9-12)15-19(2,17)18/h8-11,15H,3-7H2,1-2H3
InChIKeyRFKZJFGTLCDHEJ-UHFFFAOYSA-N
XLogP3.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide
CID 19594335
1-(4-methylsulfonylphenyl)octan-1-one
CID 86016646
N-(4-nonanoylphenyl)acetamide
CID 65449309
N-(4-pentanoylphenyl)benzenesulfonamide
CID 4248853
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
CID 101036132
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
CID 15040315
methyl 4-nonanoylbenzoate
CID 70923237
1-(4-chlorophenyl)heptan-1-one
CID 12510889
1-(4-chlorophenyl)octadecan-1-one
CID 3660100

Frequently Asked Questions

What is the IUPAC name of N-(4-heptanoylphenyl)methanesulfonamide?
The IUPAC name of N-(4-heptanoylphenyl)methanesulfonamide (CID 114752118) is N-(4-heptanoylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-heptanoylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-heptanoylphenyl)methanesulfonamide is CCCCCCC(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-(4-heptanoylphenyl)methanesulfonamide?
The InChIKey is RFKZJFGTLCDHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-4-5-6-7-14(16)12-8-10-13(11-9-12)15-19(2,17)18/h8-11,15H,3-7H2,1-2H3.
What are the key properties of N-(4-heptanoylphenyl)methanesulfonamide?
N-(4-heptanoylphenyl)methanesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptanoylphenyl)methanesulfonamide is sourced from PubChem (CID 114752118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).