5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C9H7ClFN3O2S2 — CID 129264627

IUPAC5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1Cl
InChIInChI=1S/C9H7ClFN3O2S2/c1-5-2-7(11)8(3-6(5)10)18(15,16)14-9-12-4-13-17-9/h2-4H,1H3,(H,12,13,14)
InChIKeyRHXVXRRJRHVNSB-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.44
Rot. Bonds3

About 5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 129264627) has the molecular formula C9H7ClFN3O2S2 and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID129264627
Molecular FormulaC9H7ClFN3O2S2
Molecular Weight307.76 g/mol
Exact Mass306.97
IUPAC Name5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1Cl
InChIInChI=1S/C9H7ClFN3O2S2/c1-5-2-7(11)8(3-6(5)10)18(15,16)14-9-12-4-13-17-9/h2-4H,1H3,(H,12,13,14)
InChIKeyRHXVXRRJRHVNSB-UHFFFAOYSA-N
XLogP2.44
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905573
3-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905637
3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 117653381
3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide
CID 123933469
4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 135284088
4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 135284298
N-[5-chloro-4-(chloromethyl)-2-fluorophenyl]sulfanyl-1,2,4-thiadiazol-5-amine
CID 145181819
5-chloro-4-(chloromethyl)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 145181820
5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 145181941
2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 145285088
4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide
CID 145285383
4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 145285653

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 129264627) is 5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is Cc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1Cl.
What is the InChIKey of 5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is RHXVXRRJRHVNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3O2S2/c1-5-2-7(11)8(3-6(5)10)18(15,16)14-9-12-4-13-17-9/h2-4H,1H3,(H,12,13,14).
What are the key properties of 5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 307.76 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 129264627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).