4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene

C13H22N2O3S — CID 110776709

IUPAC4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene
SMILESCOc1ccc(C(C)(C)C)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C13H22N2O3S/c1-13(2,3)10-7-8-12(18-6)11(9-10)14-19(16,17)15(4)5/h7-9,14H,1-6H3
InChIKeyQVDPSRJHLQFGEW-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.21
Rot. Bonds4

About 4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene

4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene (PubChem CID 110776709) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene.

Molecular Properties

Compound Name4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene
PubChem CID110776709
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene
SMILESCOc1ccc(C(C)(C)C)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C13H22N2O3S/c1-13(2,3)10-7-8-12(18-6)11(9-10)14-19(16,17)15(4)5/h7-9,14H,1-6H3
InChIKeyQVDPSRJHLQFGEW-UHFFFAOYSA-N
XLogP2.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
CID 6470554
2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene
CID 110776791
N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
CID 7940797
N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide
CID 2106216
1-chloro-5-(dimethylsulfamoylamino)-2,4-dimethoxybenzene
CID 35767285
N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 2454498
(2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide
CID 9044303
N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide
CID 115171825
4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54967949
N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 13210300
N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
CID 96672535
N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 39919060

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene?
The IUPAC name of 4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene (CID 110776709) is 4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene.
What is the SMILES notation for 4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene?
The canonical SMILES for 4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene is COc1ccc(C(C)(C)C)cc1NS(=O)(=O)N(C)C.
What is the InChIKey of 4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene?
The InChIKey is QVDPSRJHLQFGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-13(2,3)10-7-8-12(18-6)11(9-10)14-19(16,17)15(4)5/h7-9,14H,1-6H3.
What are the key properties of 4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene?
4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene has a molecular weight of 286.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene is sourced from PubChem (CID 110776709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).