N-(2-methylheptyl)benzenesulfonamide

C14H23NO2S — CID 143260336

IUPACN-(2-methylheptyl)benzenesulfonamide
SMILESCCCCCC(C)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-3-4-6-9-13(2)12-15-18(16,17)14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,3-4,6,9,12H2,1-2H3
InChIKeyNSQIAXPYQCXCKQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.18
Rot. Bonds8

About N-(2-methylheptyl)benzenesulfonamide

N-(2-methylheptyl)benzenesulfonamide (PubChem CID 143260336) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2-methylheptyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylheptyl)benzenesulfonamide
PubChem CID143260336
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(2-methylheptyl)benzenesulfonamide
SMILESCCCCCC(C)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-3-4-6-9-13(2)12-15-18(16,17)14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,3-4,6,9,12H2,1-2H3
InChIKeyNSQIAXPYQCXCKQ-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylbutyl)benzenesulfonamide
CID 66091403
N-tridecylbenzenesulfonamide
CID 3514704
N-nonan-4-ylbenzenesulfonamide
CID 174769116
[(4S)-4-methyloctadecyl]sulfonylbenzene
CID 10645166
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
CID 57376593
CID 57376593
nonadecan-2-yl benzenesulfonate
CID 140728103
[(9S)-9-methyltridecyl]sulfonylbenzene
CID 11110546
3-methylnonadecyl benzenesulfonate
CID 54191758
N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide
CID 58821622
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
N-(4-aminopentyl)benzenesulfonamide
CID 106125730

Frequently Asked Questions

What is the IUPAC name of N-(2-methylheptyl)benzenesulfonamide?
The IUPAC name of N-(2-methylheptyl)benzenesulfonamide (CID 143260336) is N-(2-methylheptyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylheptyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylheptyl)benzenesulfonamide is CCCCCC(C)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methylheptyl)benzenesulfonamide?
The InChIKey is NSQIAXPYQCXCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-4-6-9-13(2)12-15-18(16,17)14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,3-4,6,9,12H2,1-2H3.
What are the key properties of N-(2-methylheptyl)benzenesulfonamide?
N-(2-methylheptyl)benzenesulfonamide has a molecular weight of 269.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylheptyl)benzenesulfonamide is sourced from PubChem (CID 143260336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).