(3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride

C9H8Cl2N2O2S — CID 84714969

IUPAC(3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride
SMILESCn1nc(Cl)c2cc(CS(=O)(=O)Cl)ccc21
InChIInChI=1S/C9H8Cl2N2O2S/c1-13-8-3-2-6(5-16(11,14)15)4-7(8)9(10)12-13/h2-4H,5H2,1H3
InChIKeyNFNHOBDZMBZCOH-UHFFFAOYSA-N
MW279.15 g/mol
LogP2.30
Rot. Bonds2

About (3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride

(3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride (PubChem CID 84714969) has the molecular formula C9H8Cl2N2O2S and a molecular weight of 279.15 g/mol. Its IUPAC name is (3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride
PubChem CID84714969
Molecular FormulaC9H8Cl2N2O2S
Molecular Weight279.15 g/mol
Exact Mass277.97
IUPAC Name(3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride
SMILESCn1nc(Cl)c2cc(CS(=O)(=O)Cl)ccc21
InChIInChI=1S/C9H8Cl2N2O2S/c1-13-8-3-2-6(5-16(11,14)15)4-7(8)9(10)12-13/h2-4H,5H2,1H3
InChIKeyNFNHOBDZMBZCOH-UHFFFAOYSA-N
XLogP2.30
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.15
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-1-methylindazol-5-yl)methanamine
CID 83446741
3-(3-chloro-1-methylindazol-5-yl)propanal
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2-amino-3-(3-chloro-1-methylindazol-5-yl)propanoic acid
CID 117387142
(3-methylbenzotriazol-5-yl)methanesulfonyl chloride
CID 84705364
5-tert-butyl-3-chloro-1-methylindazole
CID 169058983
(3,4-diethylphenyl)methanesulfonyl chloride
CID 117369333
3-chloro-6-(isocyanatomethyl)-1-methylindazole
CID 117317274
(E)-3-(3-chloro-1-methylindazol-5-yl)prop-2-en-1-amine
CID 117317344
(3-amino-4-methylphenyl)methanesulfonyl chloride
CID 117117261
2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol
CID 175518808
[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
CID 18676560
5-(3-chloro-1-methylindazol-5-yl)-1,2-oxazol-3-amine
CID 117374897

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride?
The IUPAC name of (3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride (CID 84714969) is (3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride.
What is the SMILES notation for (3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride?
The canonical SMILES for (3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride is Cn1nc(Cl)c2cc(CS(=O)(=O)Cl)ccc21.
What is the InChIKey of (3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride?
The InChIKey is NFNHOBDZMBZCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O2S/c1-13-8-3-2-6(5-16(11,14)15)4-7(8)9(10)12-13/h2-4H,5H2,1H3.
What are the key properties of (3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride?
(3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride has a molecular weight of 279.15 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-methylindazol-5-yl)methanesulfonyl chloride is sourced from PubChem (CID 84714969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).