N,N-dimethyl-2-(octylamino)benzenesulfonamide

C16H28N2O2S — CID 115568876

IUPACN,N-dimethyl-2-(octylamino)benzenesulfonamide
SMILESCCCCCCCCNc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H28N2O2S/c1-4-5-6-7-8-11-14-17-15-12-9-10-13-16(15)21(19,20)18(2)3/h9-10,12-13,17H,4-8,11,14H2,1-3H3
InChIKeyIMVBFUFJWMDIHZ-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.71
Rot. Bonds10

About N,N-dimethyl-2-(octylamino)benzenesulfonamide

N,N-dimethyl-2-(octylamino)benzenesulfonamide (PubChem CID 115568876) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N,N-dimethyl-2-(octylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(octylamino)benzenesulfonamide
PubChem CID115568876
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN,N-dimethyl-2-(octylamino)benzenesulfonamide
SMILESCCCCCCCCNc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H28N2O2S/c1-4-5-6-7-8-11-14-17-15-12-9-10-13-16(15)21(19,20)18(2)3/h9-10,12-13,17H,4-8,11,14H2,1-3H3
InChIKeyIMVBFUFJWMDIHZ-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.71
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

2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 21311748
3-(hexylamino)-2-methylbenzenesulfonamide
CID 54866925
N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904200
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
2-(2-cyclopentylethylamino)-N,N-dimethylbenzenesulfonamide
CID 60920166
3-(heptylamino)-N,N-dimethylbenzenesulfonamide
CID 43715567
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 55084058
2-(hexadecylamino)phenol
CID 154256819
N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide
CID 63726361

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(octylamino)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-(octylamino)benzenesulfonamide (CID 115568876) is N,N-dimethyl-2-(octylamino)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(octylamino)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-(octylamino)benzenesulfonamide is CCCCCCCCNc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(octylamino)benzenesulfonamide?
The InChIKey is IMVBFUFJWMDIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-4-5-6-7-8-11-14-17-15-12-9-10-13-16(15)21(19,20)18(2)3/h9-10,12-13,17H,4-8,11,14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(octylamino)benzenesulfonamide?
N,N-dimethyl-2-(octylamino)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(octylamino)benzenesulfonamide is sourced from PubChem (CID 115568876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).