2-dodecyl-N-propan-2-ylbenzenesulfonamide

C21H37NO2S — CID 154161934

IUPAC2-dodecyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCCCCCCCCCCc1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C21H37NO2S/c1-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18-21(20)25(23,24)22-19(2)3/h14-15,17-19,22H,4-13,16H2,1-3H3
InChIKeyPGRSFPRRRCWLGB-UHFFFAOYSA-N
MW367.60 g/mol
LogP5.84
Rot. Bonds14

About 2-dodecyl-N-propan-2-ylbenzenesulfonamide

2-dodecyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 154161934) has the molecular formula C21H37NO2S and a molecular weight of 367.60 g/mol. Its IUPAC name is 2-dodecyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-dodecyl-N-propan-2-ylbenzenesulfonamide
PubChem CID154161934
Molecular FormulaC21H37NO2S
Molecular Weight367.60 g/mol
Exact Mass367.25
IUPAC Name2-dodecyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCCCCCCCCCCc1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C21H37NO2S/c1-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18-21(20)25(23,24)22-19(2)3/h14-15,17-19,22H,4-13,16H2,1-3H3
InChIKeyPGRSFPRRRCWLGB-UHFFFAOYSA-N
XLogP5.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.60
LogP ≤ 55.84
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

2-dodecyl-N-methylbenzenesulfonamide
CID 154206343
lithium 2-dodecylbenzenesulfonic acid
CID 22564411
2-dodecylbenzenesulfonyl bromide
CID 175762421
2-nonylbenzenesulfonamide
CID 70447042
2-docosylbenzenesulfonic acid
CID 14818387
2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide
CID 63202897
potassium 2-heptacosylbenzenesulfonate
CID 101306322
bis(2-hexylbenzenesulfonate);iron(2+)
CID 88621063
magnesium bis(2-tetracontylbenzenesulfonate)
CID 101306554
antimony(3+);tris(2-dodecylbenzenesulfonate)
CID 23463604
sodium 2-decylbenzenesulfonic acid
CID 23072893
magnesium bis(2-tetradecylbenzenesulfonate)
CID 101306149

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-dodecyl-N-propan-2-ylbenzenesulfonamide (CID 154161934) is 2-dodecyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-dodecyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-dodecyl-N-propan-2-ylbenzenesulfonamide is CCCCCCCCCCCCc1ccccc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-dodecyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is PGRSFPRRRCWLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO2S/c1-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18-21(20)25(23,24)22-19(2)3/h14-15,17-19,22H,4-13,16H2,1-3H3.
What are the key properties of 2-dodecyl-N-propan-2-ylbenzenesulfonamide?
2-dodecyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 367.60 g/mol, XLogP of 5.84, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 154161934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).