N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide

C14H24N2O2S — CID 43508144

IUPACN-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(C(C)NCC)c1
InChIInChI=1S/C14H24N2O2S/c1-4-6-10-19(17,18)16-14-9-7-8-13(11-14)12(3)15-5-2/h7-9,11-12,15-16H,4-6,10H2,1-3H3
InChIKeyXWJSVWWFLHZURT-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.90
Rot. Bonds8

About N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide

N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide (PubChem CID 43508144) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
PubChem CID43508144
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(C(C)NCC)c1
InChIInChI=1S/C14H24N2O2S/c1-4-6-10-19(17,18)16-14-9-7-8-13(11-14)12(3)15-5-2/h7-9,11-12,15-16H,4-6,10H2,1-3H3
InChIKeyXWJSVWWFLHZURT-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
CID 43508153
N-[2-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508199
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide
CID 61064761
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 63245607
N-(3-methylsulfonylphenyl)butane-1-sulfonamide
CID 110779460
N-(3-formylphenyl)butane-1-sulfonamide
CID 87474452
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline
CID 114814956
N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063494
N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline
CID 79677847

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide?
The IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide (CID 43508144) is N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cccc(C(C)NCC)c1.
What is the InChIKey of N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide?
The InChIKey is XWJSVWWFLHZURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-6-10-19(17,18)16-14-9-7-8-13(11-14)12(3)15-5-2/h7-9,11-12,15-16H,4-6,10H2,1-3H3.
What are the key properties of N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide?
N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide is sourced from PubChem (CID 43508144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).