N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide

C19H20N4O4S2 — CID 70917891

IUPACN-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1=NS(=O)(=O)NCC1c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-13(2)28(24,25)22-19-18(12-21-29(26,27)23-19)17-9-7-16(8-10-17)15-5-3-14(11-20)4-6-15/h3-10,13,18,21H,12H2,1-2H3,(H,22,23)
InChIKeyFDVCNAZBMMGWTB-UHFFFAOYSA-N
MW432.53 g/mol
LogP1.88
Rot. Bonds4

About N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide

N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide (PubChem CID 70917891) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide
PubChem CID70917891
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1=NS(=O)(=O)NCC1c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-13(2)28(24,25)22-19-18(12-21-29(26,27)23-19)17-9-7-16(8-10-17)15-5-3-14(11-20)4-6-15/h3-10,13,18,21H,12H2,1-2H3,(H,22,23)
InChIKeyFDVCNAZBMMGWTB-UHFFFAOYSA-N
XLogP1.88
TPSA128.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide?
The IUPAC name of N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide (CID 70917891) is N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1=NS(=O)(=O)NCC1c1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide?
The InChIKey is FDVCNAZBMMGWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-13(2)28(24,25)22-19-18(12-21-29(26,27)23-19)17-9-7-16(8-10-17)15-5-3-14(11-20)4-6-15/h3-10,13,18,21H,12H2,1-2H3,(H,22,23).
What are the key properties of N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide?
N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide has a molecular weight of 432.53 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide is sourced from PubChem (CID 70917891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).