N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide

C14H23NO4S — CID 64911448

IUPACN-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCC(C)O)ccc1OC(C)C
InChIInChI=1S/C14H23NO4S/c1-10(2)19-14-6-5-13(9-11(14)3)20(17,18)15-8-7-12(4)16/h5-6,9-10,12,15-16H,7-8H2,1-4H3
InChIKeyUNBJFBIUQNWKIF-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.83
Rot. Bonds7

About N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide

N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 64911448) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID64911448
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCC(C)O)ccc1OC(C)C
InChIInChI=1S/C14H23NO4S/c1-10(2)19-14-6-5-13(9-11(14)3)20(17,18)15-8-7-12(4)16/h5-6,9-10,12,15-16H,7-8H2,1-4H3
InChIKeyUNBJFBIUQNWKIF-UHFFFAOYSA-N
XLogP1.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 62664770
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460
3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide
CID 113236594
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912288
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
CID 60817410
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
N-(3-hydroxybutyl)-4-methyl-3-nitrobenzenesulfonamide
CID 64910826

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide (CID 64911448) is N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)NCCC(C)O)ccc1OC(C)C.
What is the InChIKey of N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is UNBJFBIUQNWKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-10(2)19-14-6-5-13(9-11(14)3)20(17,18)15-8-7-12(4)16/h5-6,9-10,12,15-16H,7-8H2,1-4H3.
What are the key properties of N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 64911448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).