(4-propan-2-yloxyphenyl)methanesulfonamide

C10H15NO3S — CID 115000801

IUPAC(4-propan-2-yloxyphenyl)methanesulfonamide
SMILESCC(C)Oc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C10H15NO3S/c1-8(2)14-10-5-3-9(4-6-10)7-15(11,12)13/h3-6,8H,7H2,1-2H3,(H2,11,12,13)
InChIKeyFGQCLLDQZPJFEN-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.26
Rot. Bonds4

About (4-propan-2-yloxyphenyl)methanesulfonamide

(4-propan-2-yloxyphenyl)methanesulfonamide (PubChem CID 115000801) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)methanesulfonamide
PubChem CID115000801
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name(4-propan-2-yloxyphenyl)methanesulfonamide
SMILESCC(C)Oc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C10H15NO3S/c1-8(2)14-10-5-3-9(4-6-10)7-15(11,12)13/h3-6,8H,7H2,1-2H3,(H2,11,12,13)
InChIKeyFGQCLLDQZPJFEN-UHFFFAOYSA-N
XLogP1.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-propan-2-yloxyphenyl)propanal
CID 20575607
(4-propan-2-yloxyphenyl)methyl propanoate
CID 130434136
(4-fluorophenyl)methanesulfonamide
CID 16785078
2-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54932029
2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol
CID 117037408
1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116713
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
3-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 54904729
methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 131251632
1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 92680578
1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 30386508
1-(azidomethyl)-4-propan-2-yloxybenzene
CID 151785938

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)methanesulfonamide?
The IUPAC name of (4-propan-2-yloxyphenyl)methanesulfonamide (CID 115000801) is (4-propan-2-yloxyphenyl)methanesulfonamide.
What is the SMILES notation for (4-propan-2-yloxyphenyl)methanesulfonamide?
The canonical SMILES for (4-propan-2-yloxyphenyl)methanesulfonamide is CC(C)Oc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)methanesulfonamide?
The InChIKey is FGQCLLDQZPJFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-8(2)14-10-5-3-9(4-6-10)7-15(11,12)13/h3-6,8H,7H2,1-2H3,(H2,11,12,13).
What are the key properties of (4-propan-2-yloxyphenyl)methanesulfonamide?
(4-propan-2-yloxyphenyl)methanesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)methanesulfonamide is sourced from PubChem (CID 115000801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).