N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide

C13H21NO3S — CID 47071877

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)Cc1ccccc1OC
InChIInChI=1S/C13H21NO3S/c1-4-9-18(15,16)14-11(2)10-12-7-5-6-8-13(12)17-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyOENPKIBSMJOJRT-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.96
Rot. Bonds7

About N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide

N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide (PubChem CID 47071877) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide
PubChem CID47071877
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)Cc1ccccc1OC
InChIInChI=1S/C13H21NO3S/c1-4-9-18(15,16)14-11(2)10-12-7-5-6-8-13(12)17-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyOENPKIBSMJOJRT-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide
CID 47070223
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropane-1-sulfonamide
CID 79585240
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590
N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide
CID 47372753
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol
CID 106734391
2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-amine
CID 106729586
1-[2-(chloromethyl)-4-propylsulfonylbutyl]-2-methoxybenzene
CID 106734545
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine
CID 65017667
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine
CID 119165186
2-[1-(2-methoxyphenyl)propan-2-ylamino]-N-propylacetamide
CID 43777802

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide (CID 47071877) is N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)Cc1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide?
The InChIKey is OENPKIBSMJOJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-9-18(15,16)14-11(2)10-12-7-5-6-8-13(12)17-3/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide?
N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 47071877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).