8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H11ClN2O2S — CID 44608187

IUPAC8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2cccc(Cl)c21
InChIInChI=1S/C10H11ClN2O2S/c11-8-2-1-3-9-10(8)16(14,15)12-6-13(9)7-4-5-7/h1-3,7,12H,4-6H2
InChIKeyKVXHLEVTKKIVKC-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.56
Rot. Bonds1

About 8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 44608187) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID44608187
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2cccc(Cl)c21
InChIInChI=1S/C10H11ClN2O2S/c11-8-2-1-3-9-10(8)16(14,15)12-6-13(9)7-4-5-7/h1-3,7,12H,4-6H2
InChIKeyKVXHLEVTKKIVKC-UHFFFAOYSA-N
XLogP1.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Althiazide
CID 2122
Ethiazide
CID 15763
Idra 21
CID 3688
4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 67531324
7-chloro-4-(2-fluoroethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 11161396
6-Chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide
CID 25041665
4-Cyclopropyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
CID 67530213
7-Chloro-4-cyclopropyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 67530520
6-chloro-1,1-dioxo-N-propan-2-yl-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135845149
(R)-Althiazide
CID 6604323
Tocris-1219
CID 6604830
7-Chloro-4-methyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 16732325

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 44608187) is 8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)NCN(C2CC2)c2cccc(Cl)c21.
What is the InChIKey of 8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is KVXHLEVTKKIVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c11-8-2-1-3-9-10(8)16(14,15)12-6-13(9)7-4-5-7/h1-3,7,12H,4-6H2.
What are the key properties of 8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 258.73 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 44608187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).