N-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide

C22H27NO3S — CID 56658578

IUPACN-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C(C)C)cc1
InChIInChI=1S/C22H27NO3S/c1-16(2)23(27(24,25)20-9-6-17(3)7-10-20)15-18-8-11-21-19(14-18)12-13-22(4,5)26-21/h6-14,16H,15H2,1-5H3
InChIKeyJLWGXPCSUVYPNY-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.78
Rot. Bonds5

About N-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide

N-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 56658578) has the molecular formula C22H27NO3S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID56658578
Molecular FormulaC22H27NO3S
Molecular Weight385.53 g/mol
Exact Mass385.17
IUPAC NameN-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C(C)C)cc1
InChIInChI=1S/C22H27NO3S/c1-16(2)23(27(24,25)20-9-6-17(3)7-10-20)15-18-8-11-21-19(14-18)12-13-22(4,5)26-21/h6-14,16H,15H2,1-5H3
InChIKeyJLWGXPCSUVYPNY-UHFFFAOYSA-N
XLogP4.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.78
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]-4-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide (CID 56658578) is N-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C(C)C)cc1.
What is the InChIKey of N-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is JLWGXPCSUVYPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3S/c1-16(2)23(27(24,25)20-9-6-17(3)7-10-20)15-18-8-11-21-19(14-18)12-13-22(4,5)26-21/h6-14,16H,15H2,1-5H3.
What are the key properties of N-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide?
N-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 385.53 g/mol, XLogP of 4.78, 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]-4-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 56658578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).