4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide

C15H26N2O2S — CID 43682515

IUPAC4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCCCCC(C)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-6-7-8-13(2)16-14-9-11-15(12-10-14)20(18,19)17(3)4/h9-13,16H,5-8H2,1-4H3
InChIKeyWUEYMOFYHWVDEI-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.32
Rot. Bonds8

About 4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide

4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 43682515) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID43682515
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCCCCC(C)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-6-7-8-13(2)16-14-9-11-15(12-10-14)20(18,19)17(3)4/h9-13,16H,5-8H2,1-4H3
InChIKeyWUEYMOFYHWVDEI-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.32
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

4-(nonan-2-ylamino)benzenesulfonamide
CID 43129810
N-octan-2-yl-4-propylsulfonylaniline
CID 63541969
3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43784811
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
CID 43790312
4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
3-[4-(dimethylsulfamoyl)anilino]butanoic acid
CID 43453879
4-[(dimethylamino)methyl]-N-heptan-2-ylaniline
CID 43747151
N-hexan-2-yl-4-(trifluoromethylsulfonyl)aniline
CID 63541039
N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
CID 54913685
4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine
CID 43680104
N-(6-methylheptan-2-yl)-4-propylsulfonylaniline
CID 63540868

Frequently Asked Questions

What is the IUPAC name of 4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide (CID 43682515) is 4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide is CCCCCC(C)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is WUEYMOFYHWVDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-6-7-8-13(2)16-14-9-11-15(12-10-14)20(18,19)17(3)4/h9-13,16H,5-8H2,1-4H3.
What are the key properties of 4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43682515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).