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

C24H21Cl2NO3S — CID 56662022

IUPAC2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide
SMILESCC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2O1
InChIInChI=1S/C24H21Cl2NO3S/c1-24(2)13-12-18-14-17(8-11-22(18)30-24)16-27(20-6-4-3-5-7-20)31(28,29)23-15-19(25)9-10-21(23)26/h3-15H,16H2,1-2H3
InChIKeyBZGNCAPNVBFAKW-UHFFFAOYSA-N
MW474.41 g/mol
LogP6.57
Rot. Bonds5

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

2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide (PubChem CID 56662022) has the molecular formula C24H21Cl2NO3S and a molecular weight of 474.41 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide
PubChem CID56662022
Molecular FormulaC24H21Cl2NO3S
Molecular Weight474.41 g/mol
Exact Mass473.06
IUPAC Name2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide
SMILESCC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2O1
InChIInChI=1S/C24H21Cl2NO3S/c1-24(2)13-12-18-14-17(8-11-22(18)30-24)16-27(20-6-4-3-5-7-20)31(28,29)23-15-19(25)9-10-21(23)26/h3-15H,16H2,1-2H3
InChIKeyBZGNCAPNVBFAKW-UHFFFAOYSA-N
XLogP6.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.41
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide (CID 56662022) is 2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide is CC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2O1.
What is the InChIKey of 2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide?
The InChIKey is BZGNCAPNVBFAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO3S/c1-24(2)13-12-18-14-17(8-11-22(18)30-24)16-27(20-6-4-3-5-7-20)31(28,29)23-15-19(25)9-10-21(23)26/h3-15H,16H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide?
2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide has a molecular weight of 474.41 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 56662022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).