2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene

C12H20N2O3S — CID 110776791

IUPAC2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene
SMILESCOc1ccc(C(C)C)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C12H20N2O3S/c1-9(2)10-6-7-12(17-5)11(8-10)13-18(15,16)14(3)4/h6-9,13H,1-5H3
InChIKeyZOLAFGYSYNFCOJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.04
Rot. Bonds5

About 2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene

2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene (PubChem CID 110776791) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene
PubChem CID110776791
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene
SMILESCOc1ccc(C(C)C)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C12H20N2O3S/c1-9(2)10-6-7-12(17-5)11(8-10)13-18(15,16)14(3)4/h6-9,13H,1-5H3
InChIKeyZOLAFGYSYNFCOJ-UHFFFAOYSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene
CID 110776709
4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54967949
1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene
CID 110789543
2-hydroxy-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 115139566
N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757601
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid
CID 115249687
4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide
CID 104849481
N-(2-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757600
N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 3797956
4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 104849976
2-(ethylamino)-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 115157667

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene?
The IUPAC name of 2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene (CID 110776791) is 2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene?
The canonical SMILES for 2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene is COc1ccc(C(C)C)cc1NS(=O)(=O)N(C)C.
What is the InChIKey of 2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene?
The InChIKey is ZOLAFGYSYNFCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)10-6-7-12(17-5)11(8-10)13-18(15,16)14(3)4/h6-9,13H,1-5H3.
What are the key properties of 2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene?
2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene has a molecular weight of 272.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 110776791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).