N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide

C11H17NO3S — CID 20737165

IUPACN-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1OC(C)C
InChIInChI=1S/C11H17NO3S/c1-8(2)15-11-6-5-10(7-9(11)3)12-16(4,13)14/h5-8,12H,1-4H3
InChIKeyLTUYMLCFAZWBPB-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.15
Rot. Bonds4

About N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide

N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide (PubChem CID 20737165) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide
PubChem CID20737165
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1OC(C)C
InChIInChI=1S/C11H17NO3S/c1-8(2)15-11-6-5-10(7-9(11)3)12-16(4,13)14/h5-8,12H,1-4H3
InChIKeyLTUYMLCFAZWBPB-UHFFFAOYSA-N
XLogP2.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
CID 166594072
N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide
CID 66714800
N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758195
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758191
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 82494452
N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide
CID 63000379
N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758188
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide
CID 110777486

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide?
The IUPAC name of N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide (CID 20737165) is N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide?
The canonical SMILES for N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide is Cc1cc(NS(C)(=O)=O)ccc1OC(C)C.
What is the InChIKey of N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide?
The InChIKey is LTUYMLCFAZWBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8(2)15-11-6-5-10(7-9(11)3)12-16(4,13)14/h5-8,12H,1-4H3.
What are the key properties of N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide?
N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide is sourced from PubChem (CID 20737165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).