2-methyl-N-(2-methylpropoxy)benzenesulfonamide

C11H17NO3S — CID 82714903

IUPAC2-methyl-N-(2-methylpropoxy)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NOCC(C)C
InChIInChI=1S/C11H17NO3S/c1-9(2)8-15-12-16(13,14)11-7-5-4-6-10(11)3/h4-7,9,12H,8H2,1-3H3
InChIKeyFLOUPNRMNITDFC-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.86
Rot. Bonds5

About 2-methyl-N-(2-methylpropoxy)benzenesulfonamide

2-methyl-N-(2-methylpropoxy)benzenesulfonamide (PubChem CID 82714903) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropoxy)benzenesulfonamide
PubChem CID82714903
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-methyl-N-(2-methylpropoxy)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NOCC(C)C
InChIInChI=1S/C11H17NO3S/c1-9(2)8-15-12-16(13,14)11-7-5-4-6-10(11)3/h4-7,9,12H,8H2,1-3H3
InChIKeyFLOUPNRMNITDFC-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(2-methylpropoxy)benzenesulfonamide
CID 82715459
2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82714913
2,4-dimethyl-5-(2-methylpropoxysulfamoyl)benzoic acid
CID 82706185
2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide
CID 82715356
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892
4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide
CID 82714564
N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide
CID 112502252
2-methylbenzenesulfonic acid;2-methylpropylphosphane
CID 174880191
N-(2-methylpropoxy)pyridine-3-sulfonamide
CID 82715021
2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide
CID 88610008
4-methyl-N-(2-methylpropoxy)-3-nitrobenzenesulfonamide
CID 82715574
N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112995226

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-methylpropoxy)benzenesulfonamide (CID 82714903) is 2-methyl-N-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-methylpropoxy)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NOCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is FLOUPNRMNITDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9(2)8-15-12-16(13,14)11-7-5-4-6-10(11)3/h4-7,9,12H,8H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropoxy)benzenesulfonamide?
2-methyl-N-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 82714903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).