N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine

C15H11ClFN3O2S2 — CID 118230874

IUPACN-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(S(=O)(=O)c2ccc(Nc3nncs3)cc2F)ccc1Cl
InChIInChI=1S/C15H11ClFN3O2S2/c1-9-6-11(3-4-12(9)16)24(21,22)14-5-2-10(7-13(14)17)19-15-20-18-8-23-15/h2-8H,1H3,(H,19,20)
InChIKeyRQRJOMCZYPPSQL-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.22
Rot. Bonds4

About N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine

N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 118230874) has the molecular formula C15H11ClFN3O2S2 and a molecular weight of 383.86 g/mol. Its IUPAC name is N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine
PubChem CID118230874
Molecular FormulaC15H11ClFN3O2S2
Molecular Weight383.86 g/mol
Exact Mass383.00
IUPAC NameN-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(S(=O)(=O)c2ccc(Nc3nncs3)cc2F)ccc1Cl
InChIInChI=1S/C15H11ClFN3O2S2/c1-9-6-11(3-4-12(9)16)24(21,22)14-5-2-10(7-13(14)17)19-15-20-18-8-23-15/h2-8H,1H3,(H,19,20)
InChIKeyRQRJOMCZYPPSQL-UHFFFAOYSA-N
XLogP4.22
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1H-1,2,4-triazole-5-thione
CID 139507438
N-(4-((4-Chloro-3-(trifluoromethyl)phenyl) sulfonyl)phenyl)-1,3,4-thiadiazol-2-amine
CID 72792468
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine
CID 73295728
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine
CID 73295729
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine
CID 73296233
N-[2-chloro-4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine
CID 73296235
N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine
CID 73296236
N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine
CID 73296374
N-[4-(2-chloro-4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine
CID 73296375
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfinylphenyl]-2H-tetrazol-5-amine
CID 90035658
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfinylphenyl]-1,3,4-oxadiazol-2-amine
CID 90035682
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3,4-thiadiazol-2-amine
CID 144571948

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine (CID 118230874) is N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine is Cc1cc(S(=O)(=O)c2ccc(Nc3nncs3)cc2F)ccc1Cl.
What is the InChIKey of N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RQRJOMCZYPPSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S2/c1-9-6-11(3-4-12(9)16)24(21,22)14-5-2-10(7-13(14)17)19-15-20-18-8-23-15/h2-8H,1H3,(H,19,20).
What are the key properties of N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine?
N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 383.86 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 118230874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).