4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

C19H26N2O3S — CID 16645159

IUPAC4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C19H26N2O3S/c1-5-10-24-18-11-15(4)17(14(2)3)12-19(18)25(22,23)21-13-16-8-6-7-9-20-16/h6-9,11-12,14,21H,5,10,13H2,1-4H3
InChIKeyDJRNHIGWYMOJKQ-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.78
Rot. Bonds8

About 4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 16645159) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID16645159
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C19H26N2O3S/c1-5-10-24-18-11-15(4)17(14(2)3)12-19(18)25(22,23)21-13-16-8-6-7-9-20-16/h6-9,11-12,14,21H,5,10,13H2,1-4H3
InChIKeyDJRNHIGWYMOJKQ-UHFFFAOYSA-N
XLogP3.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 16645159) is 4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCc1ccccn1.
What is the InChIKey of 4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is DJRNHIGWYMOJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-5-10-24-18-11-15(4)17(14(2)3)12-19(18)25(22,23)21-13-16-8-6-7-9-20-16/h6-9,11-12,14,21H,5,10,13H2,1-4H3.
What are the key properties of 4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 16645159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).