5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide

C10H6ClN3O2S — CID 91620771

IUPAC5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2cccn2)c2cc(Cl)ccc21
InChIInChI=1S/C10H6ClN3O2S/c11-7-2-3-9-8(6-7)10(13-17(9,15)16)14-5-1-4-12-14/h1-6H
InChIKeyWYITWAKQSOFTFW-UHFFFAOYSA-N
MW267.70 g/mol
LogP1.53
Rot. Bonds

About 5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide

5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide (PubChem CID 91620771) has the molecular formula C10H6ClN3O2S and a molecular weight of 267.70 g/mol. Its IUPAC name is 5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide
PubChem CID91620771
Molecular FormulaC10H6ClN3O2S
Molecular Weight267.70 g/mol
Exact Mass266.99
IUPAC Name5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2cccn2)c2cc(Cl)ccc21
InChIInChI=1S/C10H6ClN3O2S/c11-7-2-3-9-8(6-7)10(13-17(9,15)16)14-5-1-4-12-14/h1-6H
InChIKeyWYITWAKQSOFTFW-UHFFFAOYSA-N
XLogP1.53
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569143
(4-chloro-2-pyrazol-1-ylphenyl)methanol
CID 114845909
N-(5-chloro-2-pyrazol-1-ylphenyl)-1,1-dioxothian-4-amine
CID 60944184
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 31913171
1-(4-chloro-2-pyrrolidin-1-ylphenyl)pyrazole
CID 168514990
4-chloro-2,6-di(pyrazol-1-yl)pyridine
CID 170900675
3-(2,4-dichlorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 132590876
6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one
CID 14317532
7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine
CID 151819828
7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide
CID 158107838
diethyl 2-(5-chloro-2-pyrazol-1-ylphenyl)propanedioate
CID 71723825
1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one
CID 20569685

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide (CID 91620771) is 5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide is O=S1(=O)N=C(n2cccn2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide?
The InChIKey is WYITWAKQSOFTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2S/c11-7-2-3-9-8(6-7)10(13-17(9,15)16)14-5-1-4-12-14/h1-6H.
What are the key properties of 5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide?
5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide has a molecular weight of 267.70 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 91620771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).