6-phenylhexane-1-sulfonamide

C12H19NO2S — CID 67179834

IUPAC6-phenylhexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCc1ccccc1
InChIInChI=1S/C12H19NO2S/c13-16(14,15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H2,13,14,15)
InChIKeyAIBZRPKBQAPRHR-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.08
Rot. Bonds7

About 6-phenylhexane-1-sulfonamide

6-phenylhexane-1-sulfonamide (PubChem CID 67179834) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 6-phenylhexane-1-sulfonamide.

Molecular Properties

Compound Name6-phenylhexane-1-sulfonamide
PubChem CID67179834
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name6-phenylhexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCc1ccccc1
InChIInChI=1S/C12H19NO2S/c13-16(14,15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H2,13,14,15)
InChIKeyAIBZRPKBQAPRHR-UHFFFAOYSA-N
XLogP2.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.08
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

4-(4-phenylbutylsulfonyl)butylbenzene
CID 70468291
3-phenylpropylsulfonylmethanesulfonamide
CID 14460415
10-phenyldecane-1-sulfonic acid
CID 58984189
potassium;hydride;2-phenylethanesulfonamide
CID 173120901
4-phenylbutane-1-sulfonyl chloride
CID 13237419
4-phenylbutylbenzene
CID 141301927
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
dodecane-1,12-disulfonamide
CID 57288842
13-phenyltridecan-1-amine
CID 19801439
dimethyl(9-phenylnonyl)azanium dichloride
CID 87468123
dimethyl(14-phenyltetradecyl)azanium chloride
CID 70621589

Frequently Asked Questions

What is the IUPAC name of 6-phenylhexane-1-sulfonamide?
The IUPAC name of 6-phenylhexane-1-sulfonamide (CID 67179834) is 6-phenylhexane-1-sulfonamide.
What is the SMILES notation for 6-phenylhexane-1-sulfonamide?
The canonical SMILES for 6-phenylhexane-1-sulfonamide is NS(=O)(=O)CCCCCCc1ccccc1.
What is the InChIKey of 6-phenylhexane-1-sulfonamide?
The InChIKey is AIBZRPKBQAPRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c13-16(14,15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H2,13,14,15).
What are the key properties of 6-phenylhexane-1-sulfonamide?
6-phenylhexane-1-sulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylhexane-1-sulfonamide is sourced from PubChem (CID 67179834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).