N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide

C15H26N2O2S — CID 63202263

IUPACN-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide
SMILESCCCNC(CC)Cc1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-11-16-14(5-2)12-13-7-9-15(10-8-13)20(18,19)17-6-3/h7-10,14,16-17H,4-6,11-12H2,1-3H3
InChIKeySIJSUKAVMAIGIO-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.31
Rot. Bonds9

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

N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide (PubChem CID 63202263) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide
PubChem CID63202263
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide
SMILESCCCNC(CC)Cc1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-11-16-14(5-2)12-13-7-9-15(10-8-13)20(18,19)17-6-3/h7-10,14,16-17H,4-6,11-12H2,1-3H3
InChIKeySIJSUKAVMAIGIO-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloropropyl)-N-propylbenzenesulfonamide
CID 55220389
1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine
CID 63197601
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide
CID 160796965
4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide
CID 63197602
4-[3,3-dimethyl-2-(propylamino)butyl]-N-methylbenzenesulfonamide
CID 63201770
3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide
CID 2224602
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide (CID 63202263) is N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide is CCCNC(CC)Cc1ccc(S(=O)(=O)NCC)cc1.
What is the InChIKey of N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide?
The InChIKey is SIJSUKAVMAIGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-11-16-14(5-2)12-13-7-9-15(10-8-13)20(18,19)17-6-3/h7-10,14,16-17H,4-6,11-12H2,1-3H3.
What are the key properties of N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide?
N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide is sourced from PubChem (CID 63202263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).