N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide

C24H27NO3S — CID 71623176

IUPACN-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C24H27NO3S/c1-19(2)28-23-13-11-22(12-14-23)18-25(17-21-7-5-4-6-8-21)29(26,27)24-15-9-20(3)10-16-24/h4-16,19H,17-18H2,1-3H3
InChIKeyFEWVUZDMZMODDZ-UHFFFAOYSA-N
MW409.55 g/mol
LogP5.17
Rot. Bonds8

About N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide

N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide (PubChem CID 71623176) has the molecular formula C24H27NO3S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
PubChem CID71623176
Molecular FormulaC24H27NO3S
Molecular Weight409.55 g/mol
Exact Mass409.17
IUPAC NameN-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C24H27NO3S/c1-19(2)28-23-13-11-22(12-14-23)18-25(17-21-7-5-4-6-8-21)29(26,27)24-15-9-20(3)10-16-24/h4-16,19H,17-18H2,1-3H3
InChIKeyFEWVUZDMZMODDZ-UHFFFAOYSA-N
XLogP5.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.55
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide (CID 71623176) is N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The InChIKey is FEWVUZDMZMODDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3S/c1-19(2)28-23-13-11-22(12-14-23)18-25(17-21-7-5-4-6-8-21)29(26,27)24-15-9-20(3)10-16-24/h4-16,19H,17-18H2,1-3H3.
What are the key properties of N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide has a molecular weight of 409.55 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 71623176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).