N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide

C21H25NO3S — CID 70688533

IUPACN-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H25NO3S/c1-16(2)22(26(23,24)19-8-6-5-7-9-19)15-17-10-11-20-18(14-17)12-13-21(3,4)25-20/h5-14,16H,15H2,1-4H3
InChIKeyUBZGWEAIHGEZIL-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.47
Rot. Bonds5

About N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide

N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 70688533) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID70688533
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC NameN-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H25NO3S/c1-16(2)22(26(23,24)19-8-6-5-7-9-19)15-17-10-11-20-18(14-17)12-13-21(3,4)25-20/h5-14,16H,15H2,1-4H3
InChIKeyUBZGWEAIHGEZIL-UHFFFAOYSA-N
XLogP4.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide (CID 70688533) is N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide is CC(C)N(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UBZGWEAIHGEZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-16(2)22(26(23,24)19-8-6-5-7-9-19)15-17-10-11-20-18(14-17)12-13-21(3,4)25-20/h5-14,16H,15H2,1-4H3.
What are the key properties of N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 371.50 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 70688533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).