5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine

C9H7ClFN3O2S2 — CID 122157809

IUPAC5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C9H7ClFN3O2S2/c10-6-2-1-3-7(11)5(6)4-18(15,16)9-14-13-8(12)17-9/h1-3H,4H2,(H2,12,13)
InChIKeyAGUKXNOHCQCRLD-UHFFFAOYSA-N
MW307.76 g/mol
LogP1.89
Rot. Bonds3

About 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine

5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine (PubChem CID 122157809) has the molecular formula C9H7ClFN3O2S2 and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine
PubChem CID122157809
Molecular FormulaC9H7ClFN3O2S2
Molecular Weight307.76 g/mol
Exact Mass306.97
IUPAC Name5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C9H7ClFN3O2S2/c10-6-2-1-3-7(11)5(6)4-18(15,16)9-14-13-8(12)17-9/h1-3H,4H2,(H2,12,13)
InChIKeyAGUKXNOHCQCRLD-UHFFFAOYSA-N
XLogP1.89
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole
CID 124506967
4-tert-butyl-2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3-thiazole
CID 2805119
5-amino-N-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383135
3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202290
4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 82089063
5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole;5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole
CID 161414276
5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole
CID 86214966
5-[(2-chloro-6-fluorophenyl)methylsulfonyl]pentan-1-ol
CID 110911844
4-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]aniline
CID 81180514
1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 67421202
3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine
CID 6404599
5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120897457

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine (CID 122157809) is 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)s1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is AGUKXNOHCQCRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3O2S2/c10-6-2-1-3-7(11)5(6)4-18(15,16)9-14-13-8(12)17-9/h1-3H,4H2,(H2,12,13).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine?
5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 307.76 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 122157809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).