6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide

C15H16ClN3O4S2 — CID 160506826

IUPAC6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NCN(CCc1ccccc1)S2(=O)=O
InChIInChI=1S/C15H16ClN3O4S2/c16-12-8-13-15(9-14(12)24(17,20)21)25(22,23)19(10-18-13)7-6-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H2,17,20,21)
InChIKeyQSNDTZHMJPIODP-UHFFFAOYSA-N
MW401.90 g/mol
LogP1.60
Rot. Bonds4

About 6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide

6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 160506826) has the molecular formula C15H16ClN3O4S2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID160506826
Molecular FormulaC15H16ClN3O4S2
Molecular Weight401.90 g/mol
Exact Mass401.03
IUPAC Name6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NCN(CCc1ccccc1)S2(=O)=O
InChIInChI=1S/C15H16ClN3O4S2/c16-12-8-13-15(9-14(12)24(17,20)21)25(22,23)19(10-18-13)7-6-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H2,17,20,21)
InChIKeyQSNDTZHMJPIODP-UHFFFAOYSA-N
XLogP1.60
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of 6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide (CID 160506826) is 6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for 6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for 6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide is NS(=O)(=O)c1cc2c(cc1Cl)NCN(CCc1ccccc1)S2(=O)=O.
What is the InChIKey of 6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is QSNDTZHMJPIODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4S2/c16-12-8-13-15(9-14(12)24(17,20)21)25(22,23)19(10-18-13)7-6-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H2,17,20,21).
What are the key properties of 6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 401.90 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 160506826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).