N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide

C24H31NO5S — CID 56679261

IUPACN-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)CC(C)C)cc1OC
InChIInChI=1S/C24H31NO5S/c1-17(2)15-25(31(26,27)20-8-10-22(28-5)23(14-20)29-6)16-18-7-9-21-19(13-18)11-12-24(3,4)30-21/h7-14,17H,15-16H2,1-6H3
InChIKeyXNFHNRBWLZQXJI-UHFFFAOYSA-N
MW445.58 g/mol
LogP4.73
Rot. Bonds8

About N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide

N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 56679261) has the molecular formula C24H31NO5S and a molecular weight of 445.58 g/mol. Its IUPAC name is N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
PubChem CID56679261
Molecular FormulaC24H31NO5S
Molecular Weight445.58 g/mol
Exact Mass445.19
IUPAC NameN-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)CC(C)C)cc1OC
InChIInChI=1S/C24H31NO5S/c1-17(2)15-25(31(26,27)20-8-10-22(28-5)23(14-20)29-6)16-18-7-9-21-19(13-18)11-12-24(3,4)30-21/h7-14,17H,15-16H2,1-6H3
InChIKeyXNFHNRBWLZQXJI-UHFFFAOYSA-N
XLogP4.73
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.58
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide (CID 56679261) is N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)CC(C)C)cc1OC.
What is the InChIKey of N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is XNFHNRBWLZQXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO5S/c1-17(2)15-25(31(26,27)20-8-10-22(28-5)23(14-20)29-6)16-18-7-9-21-19(13-18)11-12-24(3,4)30-21/h7-14,17H,15-16H2,1-6H3.
What are the key properties of N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide?
N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 445.58 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 56679261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).