N-[2-(2-methylpropoxy)phenyl]methanesulfonamide

C11H17NO3S — CID 61062351

IUPACN-[2-(2-methylpropoxy)phenyl]methanesulfonamide
SMILESCC(C)COc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-9(2)8-15-11-7-5-4-6-10(11)12-16(3,13)14/h4-7,9,12H,8H2,1-3H3
InChIKeyWUVBBLPRKQXYJK-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(2-methylpropoxy)phenyl]methanesulfonamide

N-[2-(2-methylpropoxy)phenyl]methanesulfonamide (PubChem CID 61062351) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)phenyl]methanesulfonamide
PubChem CID61062351
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[2-(2-methylpropoxy)phenyl]methanesulfonamide
SMILESCC(C)COc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-9(2)8-15-11-7-5-4-6-10(11)12-16(3,13)14/h4-7,9,12H,8H2,1-3H3
InChIKeyWUVBBLPRKQXYJK-UHFFFAOYSA-N
XLogP2.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
CID 63664348
N-[2-(1-bromoethoxy)phenyl]methanesulfonamide
CID 70209856
2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine
CID 103389265
N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide
CID 43743986
2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 55125784
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 63453225
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
CID 54864889
4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119714822

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(2-methylpropoxy)phenyl]methanesulfonamide (CID 61062351) is N-[2-(2-methylpropoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-methylpropoxy)phenyl]methanesulfonamide is CC(C)COc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-(2-methylpropoxy)phenyl]methanesulfonamide?
The InChIKey is WUVBBLPRKQXYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9(2)8-15-11-7-5-4-6-10(11)12-16(3,13)14/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-[2-(2-methylpropoxy)phenyl]methanesulfonamide?
N-[2-(2-methylpropoxy)phenyl]methanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 61062351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).