N,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

C12H16F3N3O4S2 — CID 633597

IUPACN,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESCN1CN(C)S(=O)(=O)c2cc(S(=O)(=O)N(C)C)c(C(F)(F)F)cc21
InChIInChI=1S/C12H16F3N3O4S2/c1-16(2)23(19,20)10-6-11-9(5-8(10)12(13,14)15)17(3)7-18(4)24(11,21)22/h5-6H,7H2,1-4H3
InChIKeyKPSCHPPMJKWGIA-UHFFFAOYSA-N
MW387.41 g/mol
LogP0.98
Rot. Bonds2

About N,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

N,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 633597) has the molecular formula C12H16F3N3O4S2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound NameN,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID633597
Molecular FormulaC12H16F3N3O4S2
Molecular Weight387.41 g/mol
Exact Mass387.05
IUPAC NameN,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESCN1CN(C)S(=O)(=O)c2cc(S(=O)(=O)N(C)C)c(C(F)(F)F)cc21
InChIInChI=1S/C12H16F3N3O4S2/c1-16(2)23(19,20)10-6-11-9(5-8(10)12(13,14)15)17(3)7-18(4)24(11,21)22/h5-6H,7H2,1-4H3
InChIKeyKPSCHPPMJKWGIA-UHFFFAOYSA-N
XLogP0.98
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of N,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide (CID 633597) is N,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for N,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for N,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide is CN1CN(C)S(=O)(=O)c2cc(S(=O)(=O)N(C)C)c(C(F)(F)F)cc21.
What is the InChIKey of N,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is KPSCHPPMJKWGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O4S2/c1-16(2)23(19,20)10-6-11-9(5-8(10)12(13,14)15)17(3)7-18(4)24(11,21)22/h5-6H,7H2,1-4H3.
What are the key properties of N,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
N,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 387.41 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,4-tetramethyl-1,1-dioxo-6-(trifluoromethyl)-3H-1lambda6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 633597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).