5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide

C16H20N2O3S — CID 167876679

IUPAC5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide
SMILESCc1ccc(C(C)C)cc1COc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C16H20N2O3S/c1-11(2)13-5-4-12(3)14(8-13)10-21-15-6-7-16(18-9-15)22(17,19)20/h4-9,11H,10H2,1-3H3,(H2,17,19,20)
InChIKeyBQQGVJZFCFMZBZ-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.74
Rot. Bonds5

About 5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide

5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide (PubChem CID 167876679) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide
PubChem CID167876679
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide
SMILESCc1ccc(C(C)C)cc1COc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C16H20N2O3S/c1-11(2)13-5-4-12(3)14(8-13)10-21-15-6-7-16(18-9-15)22(17,19)20/h4-9,11H,10H2,1-3H3,(H2,17,19,20)
InChIKeyBQQGVJZFCFMZBZ-UHFFFAOYSA-N
XLogP2.74
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine
CID 117044196
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047
2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline
CID 82134354
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
CID 82354174
1-[5-[(5-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 105370370
4-[(2-methylphenyl)methoxy]benzenesulfonamide
CID 43164522
4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one
CID 170366215
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
6-propan-2-ylnaphthalene-2-sulfonamide
CID 142387587
2-(2-methyl-5-propan-2-ylphenyl)acetaldehyde
CID 87494149
(1R)-1-[5-(2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937883
1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 60860414

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide?
The IUPAC name of 5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide (CID 167876679) is 5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide?
The canonical SMILES for 5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide is Cc1ccc(C(C)C)cc1COc1ccc(S(N)(=O)=O)nc1.
What is the InChIKey of 5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide?
The InChIKey is BQQGVJZFCFMZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11(2)13-5-4-12(3)14(8-13)10-21-15-6-7-16(18-9-15)22(17,19)20/h4-9,11H,10H2,1-3H3,(H2,17,19,20).
What are the key properties of 5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide?
5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyridine-2-sulfonamide is sourced from PubChem (CID 167876679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).