N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide

C13H21NO3S — CID 22201304

IUPACN-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)c1cccc(OC)c1
InChIInChI=1S/C13H21NO3S/c1-4-5-9-18(15,16)14-11(2)12-7-6-8-13(10-12)17-3/h6-8,10-11,14H,4-5,9H2,1-3H3
InChIKeyNWLPHDISUCJWCB-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.48
Rot. Bonds7

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

N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide (PubChem CID 22201304) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
PubChem CID22201304
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)c1cccc(OC)c1
InChIInChI=1S/C13H21NO3S/c1-4-5-9-18(15,16)14-11(2)12-7-6-8-13(10-12)17-3/h6-8,10-11,14H,4-5,9H2,1-3H3
InChIKeyNWLPHDISUCJWCB-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide
CID 161129597
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine
CID 81376303
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666
1-(3-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758487
1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine
CID 107758622
N-[1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 47371512
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197095
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197096
N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine
CID 81376287

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide (CID 22201304) is N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC(C)c1cccc(OC)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide?
The InChIKey is NWLPHDISUCJWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-5-9-18(15,16)14-11(2)12-7-6-8-13(10-12)17-3/h6-8,10-11,14H,4-5,9H2,1-3H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide?
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 22201304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).