N-methyl-2-(octan-2-ylamino)benzenesulfonamide

C15H26N2O2S — CID 43749903

IUPACN-methyl-2-(octan-2-ylamino)benzenesulfonamide
SMILESCCCCCCC(C)Nc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C15H26N2O2S/c1-4-5-6-7-10-13(2)17-14-11-8-9-12-15(14)20(18,19)16-3/h8-9,11-13,16-17H,4-7,10H2,1-3H3
InChIKeyDGPNGRFFJUDCJS-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.37
Rot. Bonds9

About N-methyl-2-(octan-2-ylamino)benzenesulfonamide

N-methyl-2-(octan-2-ylamino)benzenesulfonamide (PubChem CID 43749903) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-methyl-2-(octan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(octan-2-ylamino)benzenesulfonamide
PubChem CID43749903
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-methyl-2-(octan-2-ylamino)benzenesulfonamide
SMILESCCCCCCC(C)Nc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C15H26N2O2S/c1-4-5-6-7-10-13(2)17-14-11-8-9-12-15(14)20(18,19)16-3/h8-9,11-13,16-17H,4-7,10H2,1-3H3
InChIKeyDGPNGRFFJUDCJS-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 62119321
N-hexan-2-yl-2-(trifluoromethylsulfonyl)aniline
CID 63541038
N-octan-2-yl-2-(trifluoromethyl)aniline
CID 43129732
N-(6-methylheptan-2-yl)-2-methylsulfonylaniline
CID 61472578
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
2-bromo-N-nonan-2-ylaniline
CID 43129843
2-hydroxy-N-octan-2-ylbenzenesulfonamide
CID 81241205
2-nitro-N-nonan-2-ylaniline
CID 43718170
2-(methylaminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 106008883
2-dodecyl-N-methylbenzenesulfonamide
CID 154206343
2-(nonan-2-ylamino)benzonitrile
CID 43129839
2-[2-(octan-2-ylamino)phenyl]acetamide
CID 43738518

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(octan-2-ylamino)benzenesulfonamide?
The IUPAC name of N-methyl-2-(octan-2-ylamino)benzenesulfonamide (CID 43749903) is N-methyl-2-(octan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-2-(octan-2-ylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-2-(octan-2-ylamino)benzenesulfonamide is CCCCCCC(C)Nc1ccccc1S(=O)(=O)NC.
What is the InChIKey of N-methyl-2-(octan-2-ylamino)benzenesulfonamide?
The InChIKey is DGPNGRFFJUDCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-5-6-7-10-13(2)17-14-11-8-9-12-15(14)20(18,19)16-3/h8-9,11-13,16-17H,4-7,10H2,1-3H3.
What are the key properties of N-methyl-2-(octan-2-ylamino)benzenesulfonamide?
N-methyl-2-(octan-2-ylamino)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(octan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 43749903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).