3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide

C13H21NO3S — CID 60764228

IUPAC3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C)ccc1OC(C)C
InChIInChI=1S/C13H21NO3S/c1-9(2)14-18(15,16)12-6-7-13(11(5)8-12)17-10(3)4/h6-10,14H,1-5H3
InChIKeyCMICUNQIOTWDBS-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.47
Rot. Bonds5

About 3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide

3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 60764228) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
PubChem CID60764228
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C)ccc1OC(C)C
InChIInChI=1S/C13H21NO3S/c1-9(2)14-18(15,16)12-6-7-13(11(5)8-12)17-10(3)4/h6-10,14H,1-5H3
InChIKeyCMICUNQIOTWDBS-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 43362323
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]butanoic acid
CID 43470047
N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758195
3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 119970212
N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758191
3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394212
N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 62664770
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide (CID 60764228) is 3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)C)ccc1OC(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is CMICUNQIOTWDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-9(2)14-18(15,16)12-6-7-13(11(5)8-12)17-10(3)4/h6-10,14H,1-5H3.
What are the key properties of 3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide?
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 60764228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).