N-[4-(dipropylamino)phenyl]propane-1-sulfonamide

C15H26N2O2S — CID 112985658

IUPACN-[4-(dipropylamino)phenyl]propane-1-sulfonamide
SMILESCCCN(CCC)c1ccc(NS(=O)(=O)CCC)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-11-17(12-5-2)15-9-7-14(8-10-15)16-20(18,19)13-6-3/h7-10,16H,4-6,11-13H2,1-3H3
InChIKeyJPXQXVKULWWEGK-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.46
Rot. Bonds9

About N-[4-(dipropylamino)phenyl]propane-1-sulfonamide

N-[4-(dipropylamino)phenyl]propane-1-sulfonamide (PubChem CID 112985658) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[4-(dipropylamino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(dipropylamino)phenyl]propane-1-sulfonamide
PubChem CID112985658
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[4-(dipropylamino)phenyl]propane-1-sulfonamide
SMILESCCCN(CCC)c1ccc(NS(=O)(=O)CCC)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-11-17(12-5-2)15-9-7-14(8-10-15)16-20(18,19)13-6-3/h7-10,16H,4-6,11-13H2,1-3H3
InChIKeyJPXQXVKULWWEGK-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927
N-[4-[(dimethylamino)methyl]phenyl]propane-1-sulfonamide
CID 64585715
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
CID 43654481
1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 18669796
N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide
CID 113000142
N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
CID 30120117
N,N-diethyl-4-(propylsulfonylamino)benzamide
CID 60640578
N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
CID 45050507
2-[4-(propylsulfonylamino)phenyl]acetic acid
CID 16786405

Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylamino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(dipropylamino)phenyl]propane-1-sulfonamide (CID 112985658) is N-[4-(dipropylamino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(dipropylamino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(dipropylamino)phenyl]propane-1-sulfonamide is CCCN(CCC)c1ccc(NS(=O)(=O)CCC)cc1.
What is the InChIKey of N-[4-(dipropylamino)phenyl]propane-1-sulfonamide?
The InChIKey is JPXQXVKULWWEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-11-17(12-5-2)15-9-7-14(8-10-15)16-20(18,19)13-6-3/h7-10,16H,4-6,11-13H2,1-3H3.
What are the key properties of N-[4-(dipropylamino)phenyl]propane-1-sulfonamide?
N-[4-(dipropylamino)phenyl]propane-1-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylamino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112985658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).