5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole

C10H9ClN2O2S2 — CID 166400017

IUPAC5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole
SMILESO=S(=O)(Cc1cccc(Cl)c1)Cc1cnns1
InChIInChI=1S/C10H9ClN2O2S2/c11-9-3-1-2-8(4-9)6-17(14,15)7-10-5-12-13-16-10/h1-5H,6-7H2
InChIKeySFZWCKKMYFCDLL-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.31
Rot. Bonds4

About 5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole

5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole (PubChem CID 166400017) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole
PubChem CID166400017
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole
SMILESO=S(=O)(Cc1cccc(Cl)c1)Cc1cnns1
InChIInChI=1S/C10H9ClN2O2S2/c11-9-3-1-2-8(4-9)6-17(14,15)7-10-5-12-13-16-10/h1-5H,6-7H2
InChIKeySFZWCKKMYFCDLL-UHFFFAOYSA-N
XLogP2.31
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
3-chloro-N-(thiadiazol-5-ylmethyl)aniline
CID 130599769
4-[(3-chlorophenyl)methylsulfonylmethyl]benzonitrile
CID 47162176
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202387
2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide
CID 47162178
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide
CID 51090020
2-[S-[(3-chlorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile
CID 112540664
2-[(3-chlorophenyl)methylsulfonimidoyl]acetonitrile
CID 112540671
lithium (3-chlorophenyl)methylazanide
CID 142040890
1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
CID 122301719
N-butyl-2-[(3-chlorophenyl)methylsulfonyl]acetamide
CID 47155845

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole?
The IUPAC name of 5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole (CID 166400017) is 5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole.
What is the SMILES notation for 5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole?
The canonical SMILES for 5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole is O=S(=O)(Cc1cccc(Cl)c1)Cc1cnns1.
What is the InChIKey of 5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole?
The InChIKey is SFZWCKKMYFCDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c11-9-3-1-2-8(4-9)6-17(14,15)7-10-5-12-13-16-10/h1-5H,6-7H2.
What are the key properties of 5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole?
5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole has a molecular weight of 288.78 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole is sourced from PubChem (CID 166400017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).