2-methoxy-N-(2-methylpropyl)benzenesulfonamide

C11H17NO3S — CID 47104188

IUPAC2-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C11H17NO3S/c1-9(2)8-12-16(13,14)11-7-5-4-6-10(11)15-3/h4-7,9,12H,8H2,1-3H3
InChIKeyPDRCIDFVCAVDKP-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.63
Rot. Bonds5

About 2-methoxy-N-(2-methylpropyl)benzenesulfonamide

2-methoxy-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 47104188) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methylpropyl)benzenesulfonamide
PubChem CID47104188
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C11H17NO3S/c1-9(2)8-12-16(13,14)11-7-5-4-6-10(11)15-3/h4-7,9,12H,8H2,1-3H3
InChIKeyPDRCIDFVCAVDKP-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-N-(2-methylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate
CID 95981928
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 131702585
N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
CID 86922498
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
N-[(2R)-1-aminopropan-2-yl]-2-methoxybenzenesulfonamide
CID 104873312
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2-methylpropyl)benzenesulfonamide (CID 47104188) is 2-methoxy-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-methylpropyl)benzenesulfonamide is COc1ccccc1S(=O)(=O)NCC(C)C.
What is the InChIKey of 2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is PDRCIDFVCAVDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9(2)8-12-16(13,14)11-7-5-4-6-10(11)15-3/h4-7,9,12H,8H2,1-3H3.
What are the key properties of 2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
2-methoxy-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 47104188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).