N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide

C13H21NO3S — CID 6470554

IUPACN-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C13H21NO3S/c1-6-18(15,16)14-11-9-10(13(2,3)4)7-8-12(11)17-5/h7-9,14H,6H2,1-5H3
InChIKeyVZNQIZUVHCVODO-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.75
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide

N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide (PubChem CID 6470554) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
PubChem CID6470554
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C13H21NO3S/c1-6-18(15,16)14-11-9-10(13(2,3)4)7-8-12(11)17-5/h7-9,14H,6H2,1-5H3
InChIKeyVZNQIZUVHCVODO-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide
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N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide
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N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
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N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
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[5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid
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CID 115171825
N-(5-tert-butyl-2-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
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N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide (CID 6470554) is N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide?
The InChIKey is VZNQIZUVHCVODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-6-18(15,16)14-11-9-10(13(2,3)4)7-8-12(11)17-5/h7-9,14H,6H2,1-5H3.
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide?
N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 6470554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).