molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide

C10H17NO2S — CID 142616935

IUPACmolecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1ccc(CS(N)(=O)=O)cc1.[H][H]
InChIInChI=1S/C10H15NO2S.H2/c1-8(2)10-5-3-9(4-6-10)7-14(11,12)13;/h3-6,8H,7H2,1-2H3,(H2,11,12,13);1H
InChIKeyGQAUXFVSAVOLRR-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.84
Rot. Bonds3

About molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide

molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide (PubChem CID 142616935) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Namemolecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide
PubChem CID142616935
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Namemolecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1ccc(CS(N)(=O)=O)cc1.[H][H]
InChIInChI=1S/C10H15NO2S.H2/c1-8(2)10-5-3-9(4-6-10)7-14(11,12)13;/h3-6,8H,7H2,1-2H3,(H2,11,12,13);1H
InChIKeyGQAUXFVSAVOLRR-UHFFFAOYSA-N
XLogP1.84
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propan-2-ylphenyl)methanesulfonyl chloride
CID 16776213
N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide
CID 145265595
(4-propan-2-yloxyphenyl)methanesulfonamide
CID 115000801
[4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43745245
[4-[1-hydroxy-2-(propylamino)ethyl]phenyl]methanesulfonamide
CID 91568267
(4-fluorophenyl)methanesulfonamide
CID 16785078
2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine
CID 82181159
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
[4-[2-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide
CID 86105292
[4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide
CID 43745219
CID 68896583
CID 68896583
azane;phenylmethanesulfonamide
CID 67842568

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide?
The IUPAC name of molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide (CID 142616935) is molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide?
The canonical SMILES for molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide is CC(C)c1ccc(CS(N)(=O)=O)cc1.[H][H].
What is the InChIKey of molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide?
The InChIKey is GQAUXFVSAVOLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S.H2/c1-8(2)10-5-3-9(4-6-10)7-14(11,12)13;/h3-6,8H,7H2,1-2H3,(H2,11,12,13);1H.
What are the key properties of molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide?
molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide has a molecular weight of 215.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 142616935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).