N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide

C26H33NO5S — CID 56675943

IUPACN-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C2CCCCC2)cc1OC
InChIInChI=1S/C26H33NO5S/c1-26(2)15-14-20-16-19(10-12-23(20)32-26)18-27(21-8-6-5-7-9-21)33(28,29)22-11-13-24(30-3)25(17-22)31-4/h10-17,21H,5-9,18H2,1-4H3
InChIKeyOTVZNRSJIGMUJL-UHFFFAOYSA-N
MW471.62 g/mol
LogP5.41
Rot. Bonds7

About N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide

N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 56675943) has the molecular formula C26H33NO5S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID56675943
Molecular FormulaC26H33NO5S
Molecular Weight471.62 g/mol
Exact Mass471.21
IUPAC NameN-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C2CCCCC2)cc1OC
InChIInChI=1S/C26H33NO5S/c1-26(2)15-14-20-16-19(10-12-23(20)32-26)18-27(21-8-6-5-7-9-21)33(28,29)22-11-13-24(30-3)25(17-22)31-4/h10-17,21H,5-9,18H2,1-4H3
InChIKeyOTVZNRSJIGMUJL-UHFFFAOYSA-N
XLogP5.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.62
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide (CID 56675943) is N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C2CCCCC2)cc1OC.
What is the InChIKey of N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is OTVZNRSJIGMUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO5S/c1-26(2)15-14-20-16-19(10-12-23(20)32-26)18-27(21-8-6-5-7-9-21)33(28,29)22-11-13-24(30-3)25(17-22)31-4/h10-17,21H,5-9,18H2,1-4H3.
What are the key properties of N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 471.62 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 56675943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).