N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide

C14H24N2O2S — CID 43506700

IUPACN-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C14H24N2O2S/c1-5-9-15-12(4)13-7-6-8-14(10-13)19(17,18)16-11(2)3/h6-8,10-12,15-16H,5,9H2,1-4H3
InChIKeyAWSDRSBCJJYCDW-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.43
Rot. Bonds7

About N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide

N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide (PubChem CID 43506700) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide
PubChem CID43506700
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C14H24N2O2S/c1-5-9-15-12(4)13-7-6-8-14(10-13)19(17,18)16-11(2)3/h6-8,10-12,15-16H,5,9H2,1-4H3
InChIKeyAWSDRSBCJJYCDW-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43591525
N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 104828856
N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43507085
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 43506746
N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
CID 43508153
3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588979
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide (CID 43506700) is N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide is CCCNC(C)c1cccc(S(=O)(=O)NC(C)C)c1.
What is the InChIKey of N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is AWSDRSBCJJYCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-9-15-12(4)13-7-6-8-14(10-13)19(17,18)16-11(2)3/h6-8,10-12,15-16H,5,9H2,1-4H3.
What are the key properties of N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide?
N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43506700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).