6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

C7H6ClN3O4S2 — CID 2720

💊View drug profile → chlorothiazide
IUPAC6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O
InChIInChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
InChIKeyJBMKAUGHUNFTOL-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.13
Rot. Bonds1

About 6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 2720) has the molecular formula C7H6ClN3O4S2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID2720
Molecular FormulaC7H6ClN3O4S2
Molecular Weight295.73 g/mol
Exact Mass294.95
IUPAC Name6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O
InChIInChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
InChIKeyJBMKAUGHUNFTOL-UHFFFAOYSA-N
XLogP0.13
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Hydrochlorothiazide
CID 3639
Ethiazide
CID 15763
Chlorothiazide Sodium
CID 23675744
Teclothiazide
CID 71656
6-Chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide
CID 25041665
6-Chloro-2-methyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide
CID 6432768
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-methyl-, 1,1-dioxide
CID 70562
2H-1,2,4-Benzothiadiazine, 6,7-dichloro-, 1,1-dioxide
CID 120222
6-Chloro-N,2-dimethyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide
CID 216576
6-chloro-5-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
CID 5351722
7-Chloro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
CID 10036276
6-chloro-3-methylsulfanyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 12526598

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of 6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide (CID 2720) is 6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for 6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for 6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide is NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O.
What is the InChIKey of 6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is JBMKAUGHUNFTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13).
What are the key properties of 6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 295.73 g/mol, XLogP of 0.13, 1 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-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 2720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).