1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide

C20H25NO4S — CID 990877

IUPAC1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide
SMILESCC1(C)OC(c2cccc(NS(=O)(=O)Cc3ccccc3)c2)OC1(C)C
InChIInChI=1S/C20H25NO4S/c1-19(2)20(3,4)25-18(24-19)16-11-8-12-17(13-16)21-26(22,23)14-15-9-6-5-7-10-15/h5-13,18,21H,14H2,1-4H3
InChIKeyFYXADNKJBMFWKN-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.23
Rot. Bonds5

About 1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide

1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide (PubChem CID 990877) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide
PubChem CID990877
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide
SMILESCC1(C)OC(c2cccc(NS(=O)(=O)Cc3ccccc3)c2)OC1(C)C
InChIInChI=1S/C20H25NO4S/c1-19(2)20(3,4)25-18(24-19)16-11-8-12-17(13-16)21-26(22,23)14-15-9-6-5-7-10-15/h5-13,18,21H,14H2,1-4H3
InChIKeyFYXADNKJBMFWKN-UHFFFAOYSA-N
XLogP4.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide (CID 990877) is 1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide is CC1(C)OC(c2cccc(NS(=O)(=O)Cc3ccccc3)c2)OC1(C)C.
What is the InChIKey of 1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide?
The InChIKey is FYXADNKJBMFWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-19(2)20(3,4)25-18(24-19)16-11-8-12-17(13-16)21-26(22,23)14-15-9-6-5-7-10-15/h5-13,18,21H,14H2,1-4H3.
What are the key properties of 1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide?
1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 990877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).