N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide

C13H21NO4S — CID 54879645

IUPACN-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCO)ccc1OC(C)C
InChIInChI=1S/C13H21NO4S/c1-10(2)18-13-6-5-12(9-11(13)3)19(16,17)14(4)7-8-15/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyITPPKINDOZGZSP-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.40
Rot. Bonds6

About N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide

N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 54879645) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID54879645
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCO)ccc1OC(C)C
InChIInChI=1S/C13H21NO4S/c1-10(2)18-13-6-5-12(9-11(13)3)19(16,17)14(4)7-8-15/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyITPPKINDOZGZSP-UHFFFAOYSA-N
XLogP1.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[methyl-(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 39622713
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 39631584
4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide
CID 39363651
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119967344
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 39623415
N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
CID 86825288
N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 66185704
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-propan-2-ylamino]acetate
CID 55854442
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 60529997
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 43362323

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide (CID 54879645) is N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CCO)ccc1OC(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is ITPPKINDOZGZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-10(2)18-13-6-5-12(9-11(13)3)19(16,17)14(4)7-8-15/h5-6,9-10,15H,7-8H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide?
N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 54879645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).