N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide

C26H27NO3S — CID 53472867

IUPACN-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)c2ccccc2)c1
InChIInChI=1S/C26H27NO3S/c1-19-14-20(2)16-24(15-19)31(28,29)27(23-8-6-5-7-9-23)18-21-10-11-25-22(17-21)12-13-26(3,4)30-25/h5-17H,18H2,1-4H3
InChIKeyBDRGEUHOAAKCOI-UHFFFAOYSA-N
MW433.57 g/mol
LogP5.88
Rot. Bonds5

About N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide

N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide (PubChem CID 53472867) has the molecular formula C26H27NO3S and a molecular weight of 433.57 g/mol. Its IUPAC name is N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide
PubChem CID53472867
Molecular FormulaC26H27NO3S
Molecular Weight433.57 g/mol
Exact Mass433.17
IUPAC NameN-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)c2ccccc2)c1
InChIInChI=1S/C26H27NO3S/c1-19-14-20(2)16-24(15-19)31(28,29)27(23-8-6-5-7-9-23)18-21-10-11-25-22(17-21)12-13-26(3,4)30-25/h5-17H,18H2,1-4H3
InChIKeyBDRGEUHOAAKCOI-UHFFFAOYSA-N
XLogP5.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Kcn-1
CID 16097752
N-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 54575619
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 54575620
N-[2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 3617270
N,4-dimethyl-N-[4-[(3-methylphenyl)methoxy]phenyl]benzenesulfonamide
CID 24819423
N-phenyl-N-(1-(2-(3-(pyrrolidin-1-yl)propoxy)phenyl)ethyl)benzenesulfonamide
CID 44414839
4-[(4-Phenylmethoxyphenyl)methylamino]benzenesulfonamide
CID 49929067
N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide
CID 53483998
N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide
CID 53483999
N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide
CID 127030332
N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 137635390
N-[(2,2-dimethylchromen-6-yl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
CID 137642034

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide (CID 53472867) is N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)c2ccccc2)c1.
What is the InChIKey of N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide?
The InChIKey is BDRGEUHOAAKCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3S/c1-19-14-20(2)16-24(15-19)31(28,29)27(23-8-6-5-7-9-23)18-21-10-11-25-22(17-21)12-13-26(3,4)30-25/h5-17H,18H2,1-4H3.
What are the key properties of N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide?
N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide has a molecular weight of 433.57 g/mol, XLogP of 5.88, 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]-3,5-dimethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 53472867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).