2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide

C13H21NO3S — CID 110758402

IUPAC2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide
SMILESCOc1cc(C(C)C)ccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C13H21NO3S/c1-9(2)11-6-7-13(12(8-11)17-5)18(15,16)14-10(3)4/h6-10,14H,1-5H3
InChIKeyVHVFYNJFYDCVMK-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.51
Rot. Bonds5

About 2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide

2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide (PubChem CID 110758402) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide
PubChem CID110758402
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide
SMILESCOc1cc(C(C)C)ccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C13H21NO3S/c1-9(2)11-6-7-13(12(8-11)17-5)18(15,16)14-10(3)4/h6-10,14H,1-5H3
InChIKeyVHVFYNJFYDCVMK-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758409
4-(chloromethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704211
2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110758446
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758453
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320
N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102704456
bis(2-methoxy-4-propan-2-ylphenyl)phosphane
CID 171780256
2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 55386981
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide (CID 110758402) is 2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide is COc1cc(C(C)C)ccc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide?
The InChIKey is VHVFYNJFYDCVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-9(2)11-6-7-13(12(8-11)17-5)18(15,16)14-10(3)4/h6-10,14H,1-5H3.
What are the key properties of 2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide?
2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 110758402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).