N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide

C15H26N2O2S — CID 43506735

IUPACN-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-10-16-13(4)14-6-8-15(9-7-14)20(18,19)17-11-12(2)3/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyQYBYWCKRVFMCIU-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.68
Rot. Bonds8

About N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide

N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide (PubChem CID 43506735) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
PubChem CID43506735
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-10-16-13(4)14-6-8-15(9-7-14)20(18,19)17-11-12(2)3/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyQYBYWCKRVFMCIU-UHFFFAOYSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 43591522
4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide
CID 63004765
4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63958315
4-[1-(propylamino)ethyl]-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912868
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline
CID 114814956
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957667
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
[4-(2-methylpropylsulfamoyl)phenyl]boronic acid
CID 91666739

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide (CID 43506735) is N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide is CCCNC(C)c1ccc(S(=O)(=O)NCC(C)C)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is QYBYWCKRVFMCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-10-16-13(4)14-6-8-15(9-7-14)20(18,19)17-11-12(2)3/h6-9,12-13,16-17H,5,10-11H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide?
N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43506735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).