5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide

C10H8N4O2S2 — CID 114912630

IUPAC5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)Nc1cnns1
InChIInChI=1S/C10H8N4O2S2/c1-7-2-3-8(5-11)4-9(7)18(15,16)13-10-6-12-14-17-10/h2-4,6,13H,1H3
InChIKeyPFRBUKMDCRYMRW-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.52
Rot. Bonds3

About 5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide

5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide (PubChem CID 114912630) has the molecular formula C10H8N4O2S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
PubChem CID114912630
Molecular FormulaC10H8N4O2S2
Molecular Weight280.33 g/mol
Exact Mass280.01
IUPAC Name5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)Nc1cnns1
InChIInChI=1S/C10H8N4O2S2/c1-7-2-3-8(5-11)4-9(7)18(15,16)13-10-6-12-14-17-10/h2-4,6,13H,1H3
InChIKeyPFRBUKMDCRYMRW-UHFFFAOYSA-N
XLogP1.52
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 103739261
3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911645
5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide
CID 115749656
5-(3-aminoprop-1-ynyl)-2-methoxy-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114913935
5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide
CID 106912855
5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902839
5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 71970973
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
5-cyano-N-ethoxy-2-methylbenzenesulfonamide
CID 64973950
5-cyano-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 115628616
N-(4-aminobutyl)-5-cyano-2-methylbenzenesulfonamide;hydrochloride
CID 120583646
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide (CID 114912630) is 5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide is Cc1ccc(C#N)cc1S(=O)(=O)Nc1cnns1.
What is the InChIKey of 5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is PFRBUKMDCRYMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S2/c1-7-2-3-8(5-11)4-9(7)18(15,16)13-10-6-12-14-17-10/h2-4,6,13H,1H3.
What are the key properties of 5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide?
5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 280.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114912630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).