N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide

C15H19N3O2S2 — CID 777661

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C15H19N3O2S2/c1-11-7-9-13(10-8-11)22(19,20)18-15-17-16-14(21-15)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,18)
InChIKeyNABRORLWEBSSIT-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.70
Rot. Bonds4

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide (PubChem CID 777661) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
PubChem CID777661
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C15H19N3O2S2/c1-11-7-9-13(10-8-11)22(19,20)18-15-17-16-14(21-15)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,18)
InChIKeyNABRORLWEBSSIT-UHFFFAOYSA-N
XLogP3.70
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide (CID 777661) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is NABRORLWEBSSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-11-7-9-13(10-8-11)22(19,20)18-15-17-16-14(21-15)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,18).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 337.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 777661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).