N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide

C11H17NO3S — CID 786529

IUPACN-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-11(2,9-15-3)12-16(13,14)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyYIMYRQZBYJIWGX-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.39
Rot. Bonds5

About N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide

N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 786529) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID786529
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-11(2,9-15-3)12-16(13,14)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyYIMYRQZBYJIWGX-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 115606746
methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate
CID 115625371
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate
CID 103833585
N-(1,2-dihydroxypropan-2-yl)benzenesulfonamide
CID 172624828
N-[2-methyl-1-(4-nitrophenoxy)propan-2-yl]benzenesulfonamide
CID 21178376
N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide
CID 2314590
3-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 106080626
3-chloro-N-(1-methoxy-2-methylpropan-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 106080650
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide
CID 2314619
N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide
CID 2314582

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide (CID 786529) is N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide is COCC(C)(C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is YIMYRQZBYJIWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,9-15-3)12-16(13,14)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3.
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide?
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 786529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).