7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol

C14H9ClFN5O3S — CID 129229053

IUPAC7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol
SMILESO=S1(=O)N=C(Nc2ccc3[nH]ncc3c2)Nc2c1cc(Cl)c(F)c2O
InChIInChI=1S/C14H9ClFN5O3S/c15-8-4-10-12(13(22)11(8)16)19-14(21-25(10,23)24)18-7-1-2-9-6(3-7)5-17-20-9/h1-5,22H,(H,17,20)(H2,18,19,21)
InChIKeyBQZFOIFWWMQTDR-UHFFFAOYSA-N
MW381.78 g/mol
LogP2.64
Rot. Bonds1

About 7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol

7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol (PubChem CID 129229053) has the molecular formula C14H9ClFN5O3S and a molecular weight of 381.78 g/mol. Its IUPAC name is 7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol.

Molecular Properties

Compound Name7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol
PubChem CID129229053
Molecular FormulaC14H9ClFN5O3S
Molecular Weight381.78 g/mol
Exact Mass381.01
IUPAC Name7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol
SMILESO=S1(=O)N=C(Nc2ccc3[nH]ncc3c2)Nc2c1cc(Cl)c(F)c2O
InChIInChI=1S/C14H9ClFN5O3S/c15-8-4-10-12(13(22)11(8)16)19-14(21-25(10,23)24)18-7-1-2-9-6(3-7)5-17-20-9/h1-5,22H,(H,17,20)(H2,18,19,21)
InChIKeyBQZFOIFWWMQTDR-UHFFFAOYSA-N
XLogP2.64
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.78
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 22060782
N-[5-(2,3-difluorophenyl)-2-pyridinyl]-1H-indazol-5-amine
CID 162631226
5-(sulfinoamino)-1H-indazole
CID 68877895
5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 166380400
N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine
CID 166232105
disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate
CID 140677690
5,6-dichloro-N-(1H-indazol-5-yl)pyridine-3-carboxamide
CID 60712400
2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 145164677
3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide
CID 103221440
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 133416322

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol?
The IUPAC name of 7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol (CID 129229053) is 7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol.
What is the SMILES notation for 7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol?
The canonical SMILES for 7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol is O=S1(=O)N=C(Nc2ccc3[nH]ncc3c2)Nc2c1cc(Cl)c(F)c2O.
What is the InChIKey of 7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol?
The InChIKey is BQZFOIFWWMQTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN5O3S/c15-8-4-10-12(13(22)11(8)16)19-14(21-25(10,23)24)18-7-1-2-9-6(3-7)5-17-20-9/h1-5,22H,(H,17,20)(H2,18,19,21).
What are the key properties of 7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol?
7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol has a molecular weight of 381.78 g/mol, XLogP of 2.64, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-3-(1H-indazol-5-ylamino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol is sourced from PubChem (CID 129229053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).