6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H9ClN2O2S — CID 67529370

IUPAC6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(C2CC2)c2cc(Cl)ccc21
InChIInChI=1S/C10H9ClN2O2S/c11-7-1-4-10-9(5-7)13(8-2-3-8)6-12-16(10,14)15/h1,4-6,8H,2-3H2
InChIKeySYLNSPVBPQAHIZ-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.04
Rot. Bonds1

About 6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 67529370) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID67529370
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(C2CC2)c2cc(Cl)ccc21
InChIInChI=1S/C10H9ClN2O2S/c11-7-1-4-10-9(5-7)13(8-2-3-8)6-12-16(10,14)15/h1,4-6,8H,2-3H2
InChIKeySYLNSPVBPQAHIZ-UHFFFAOYSA-N
XLogP2.04
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 86061705
6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid
CID 84642204
7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide
CID 158107838
6-chloro-2-methyl-1,1-dioxo-4H-1λ6,2-benzothiazin-3-one
CID 10824296
(7-chloro-4,4-dioxo-1-prop-2-enyl-4λ6,1,2-benzothiadiazin-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 53151583
6-chloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538948
6-chloro-1-methyl-3H-2,1-benzothiazole 2,2-dioxide
CID 126992599
7-chloro-3-[(1R)-1-cyclohexylethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-amine
CID 150513883
(1R,2R,6S,7S)-4-(2,5-dichlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11871846
8-(5-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55105946
1-(2-chloro-6-methyl-5,5-dioxobenzo[c][2,1,5]benzothiadiazepin-11-yl)-2-(dimethylamino)ethanone
CID 14868706
5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde
CID 114863619

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 67529370) is 6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(C2CC2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is SYLNSPVBPQAHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c11-7-1-4-10-9(5-7)13(8-2-3-8)6-12-16(10,14)15/h1,4-6,8H,2-3H2.
What are the key properties of 6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 256.71 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 67529370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).