2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide

C13H21NO3S — CID 43164355

IUPAC2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(OC(C)C)c(C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-8(2)11-7-13(18(14,15)16)10(5)6-12(11)17-9(3)4/h6-9H,1-5H3,(H2,14,15,16)
InChIKeyBKVSMCLIUYLRER-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.55
Rot. Bonds4

About 2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide

2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 43164355) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
PubChem CID43164355
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(OC(C)C)c(C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-8(2)11-7-13(18(14,15)16)10(5)6-12(11)17-9(3)4/h6-9H,1-5H3,(H2,14,15,16)
InChIKeyBKVSMCLIUYLRER-UHFFFAOYSA-N
XLogP2.55
TPSA69.39 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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide (CID 43164355) is 2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide is Cc1cc(OC(C)C)c(C(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is BKVSMCLIUYLRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-8(2)11-7-13(18(14,15)16)10(5)6-12(11)17-9(3)4/h6-9H,1-5H3,(H2,14,15,16).
What are the key properties of 2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide?
2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 43164355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).