N-(4-methyl-2-propoxyphenyl)methanesulfonamide

C11H17NO3S — CID 61063067

IUPACN-(4-methyl-2-propoxyphenyl)methanesulfonamide
SMILESCCCOc1cc(C)ccc1NS(C)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-4-7-15-11-8-9(2)5-6-10(11)12-16(3,13)14/h5-6,8,12H,4,7H2,1-3H3
InChIKeyWTAMOFLZZPPATG-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.16
Rot. Bonds5

About N-(4-methyl-2-propoxyphenyl)methanesulfonamide

N-(4-methyl-2-propoxyphenyl)methanesulfonamide (PubChem CID 61063067) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(4-methyl-2-propoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-2-propoxyphenyl)methanesulfonamide
PubChem CID61063067
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(4-methyl-2-propoxyphenyl)methanesulfonamide
SMILESCCCOc1cc(C)ccc1NS(C)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-4-7-15-11-8-9(2)5-6-10(11)12-16(3,13)14/h5-6,8,12H,4,7H2,1-3H3
InChIKeyWTAMOFLZZPPATG-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide
CID 61063068
4-chloro-N-(4-methyl-2-propoxyphenyl)butane-1-sulfonamide
CID 116815843
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
CID 47001879
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
3-(methanesulfonamido)-4-propoxybenzoic acid
CID 110504278
N-[4-[(4-methyl-2-propoxyphenyl)sulfonylamino]phenyl]acetamide
CID 172906766
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988
2-(tert-butylamino)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 78923766
6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
1-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]methanesulfonamide
CID 83085433

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-propoxyphenyl)methanesulfonamide?
The IUPAC name of N-(4-methyl-2-propoxyphenyl)methanesulfonamide (CID 61063067) is N-(4-methyl-2-propoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-methyl-2-propoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(4-methyl-2-propoxyphenyl)methanesulfonamide is CCCOc1cc(C)ccc1NS(C)(=O)=O.
What is the InChIKey of N-(4-methyl-2-propoxyphenyl)methanesulfonamide?
The InChIKey is WTAMOFLZZPPATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-4-7-15-11-8-9(2)5-6-10(11)12-16(3,13)14/h5-6,8,12H,4,7H2,1-3H3.
What are the key properties of N-(4-methyl-2-propoxyphenyl)methanesulfonamide?
N-(4-methyl-2-propoxyphenyl)methanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-propoxyphenyl)methanesulfonamide is sourced from PubChem (CID 61063067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).