N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide

C23H27NO5S — CID 56925992

IUPACN-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H27NO5S/c1-6-13-24(30(25,26)19-8-10-21(27-4)22(15-19)28-5)16-17-7-9-20-18(14-17)11-12-23(2,3)29-20/h6-12,14-15H,1,13,16H2,2-5H3
InChIKeyDFPOPIIEFVYWKA-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.26
Rot. Bonds8

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

N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 56925992) has the molecular formula C23H27NO5S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID56925992
Molecular FormulaC23H27NO5S
Molecular Weight429.54 g/mol
Exact Mass429.16
IUPAC NameN-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H27NO5S/c1-6-13-24(30(25,26)19-8-10-21(27-4)22(15-19)28-5)16-17-7-9-20-18(14-17)11-12-23(2,3)29-20/h6-12,14-15H,1,13,16H2,2-5H3
InChIKeyDFPOPIIEFVYWKA-UHFFFAOYSA-N
XLogP4.26
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide (CID 56925992) is N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide is C=CCN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is DFPOPIIEFVYWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5S/c1-6-13-24(30(25,26)19-8-10-21(27-4)22(15-19)28-5)16-17-7-9-20-18(14-17)11-12-23(2,3)29-20/h6-12,14-15H,1,13,16H2,2-5H3.
What are the key properties of N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide?
N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 429.54 g/mol, XLogP of 4.26, 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-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 56925992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).