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

C13H21NO3S — CID 143578726

IUPAC2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H21NO3S/c1-10(2)14(11(3)4)18(15,16)13-9-7-6-8-12(13)17-5/h6-11H,1-5H3
InChIKeyWGHCMZIXZYBTCE-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.50
Rot. Bonds5

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

2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide (PubChem CID 143578726) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide
PubChem CID143578726
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H21NO3S/c1-10(2)14(11(3)4)18(15,16)13-9-7-6-8-12(13)17-5/h6-11H,1-5H3
InChIKeyWGHCMZIXZYBTCE-UHFFFAOYSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide
CID 51278422
N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 54916342
3-(2-methoxyphenyl)sulfonylbutan-2-one
CID 64637155
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521
2-(2-methoxyphenyl)sulfonylbutan-1-amine
CID 64698684
ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane
CID 125424647
N-[(3,5-dichlorophenyl)methyl]-2-methoxy-N-methylbenzenesulfonamide
CID 166187697
methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639230
N-[(2R)-1-aminopropan-2-yl]-2-methoxybenzenesulfonamide
CID 104873312
N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine
CID 64673696

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide (CID 143578726) is 2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide is COc1ccccc1S(=O)(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide?
The InChIKey is WGHCMZIXZYBTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10(2)14(11(3)4)18(15,16)13-9-7-6-8-12(13)17-5/h6-11H,1-5H3.
What are the key properties of 2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide?
2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 143578726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).