6-[4-(dimethylsulfamoyl)anilino]hexanoic acid

C14H22N2O4S — CID 43453874

IUPAC6-[4-(dimethylsulfamoyl)anilino]hexanoic acid
SMILESCN(C)S(=O)(=O)c1ccc(NCCCCCC(=O)O)cc1
InChIInChI=1S/C14H22N2O4S/c1-16(2)21(19,20)13-9-7-12(8-10-13)15-11-5-3-4-6-14(17)18/h7-10,15H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyACJGXUSNUREWFQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.99
Rot. Bonds9

About 6-[4-(dimethylsulfamoyl)anilino]hexanoic acid

6-[4-(dimethylsulfamoyl)anilino]hexanoic acid (PubChem CID 43453874) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-[4-(dimethylsulfamoyl)anilino]hexanoic acid.

Molecular Properties

Compound Name6-[4-(dimethylsulfamoyl)anilino]hexanoic acid
PubChem CID43453874
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name6-[4-(dimethylsulfamoyl)anilino]hexanoic acid
SMILESCN(C)S(=O)(=O)c1ccc(NCCCCCC(=O)O)cc1
InChIInChI=1S/C14H22N2O4S/c1-16(2)21(19,20)13-9-7-12(8-10-13)15-11-5-3-4-6-14(17)18/h7-10,15H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyACJGXUSNUREWFQ-UHFFFAOYSA-N
XLogP1.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
CID 107320547
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide
CID 54906965
N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
CID 54913685
N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106048559
N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 112980242
4-[4-(benzenesulfonyl)anilino]butanoic acid
CID 90075907
5-anilinopentanoic acid
CID 28972030
6-(4-nitroanilino)hexanoic acid
CID 15992782
5-[4-(diethylamino)anilino]pentanoic acid
CID 63180274

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylsulfamoyl)anilino]hexanoic acid?
The IUPAC name of 6-[4-(dimethylsulfamoyl)anilino]hexanoic acid (CID 43453874) is 6-[4-(dimethylsulfamoyl)anilino]hexanoic acid.
What is the SMILES notation for 6-[4-(dimethylsulfamoyl)anilino]hexanoic acid?
The canonical SMILES for 6-[4-(dimethylsulfamoyl)anilino]hexanoic acid is CN(C)S(=O)(=O)c1ccc(NCCCCCC(=O)O)cc1.
What is the InChIKey of 6-[4-(dimethylsulfamoyl)anilino]hexanoic acid?
The InChIKey is ACJGXUSNUREWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-16(2)21(19,20)13-9-7-12(8-10-13)15-11-5-3-4-6-14(17)18/h7-10,15H,3-6,11H2,1-2H3,(H,17,18).
What are the key properties of 6-[4-(dimethylsulfamoyl)anilino]hexanoic acid?
6-[4-(dimethylsulfamoyl)anilino]hexanoic acid has a molecular weight of 314.41 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylsulfamoyl)anilino]hexanoic acid is sourced from PubChem (CID 43453874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).