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

C17H23N3O2S2 — CID 35539079

IUPAC4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCCc1nnc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)s1
InChIInChI=1S/C17H23N3O2S2/c1-2-6-16-18-19-17(23-16)20-24(21,22)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h9-13H,2-8H2,1H3,(H,19,20)
InChIKeyNPNJUOUKVYZDPR-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.34
Rot. Bonds6

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

4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 35539079) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID35539079
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC Name4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCCc1nnc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)s1
InChIInChI=1S/C17H23N3O2S2/c1-2-6-16-18-19-17(23-16)20-24(21,22)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h9-13H,2-8H2,1H3,(H,19,20)
InChIKeyNPNJUOUKVYZDPR-UHFFFAOYSA-N
XLogP4.34
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 35539079) is 4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCCc1nnc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)s1.
What is the InChIKey of 4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is NPNJUOUKVYZDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-2-6-16-18-19-17(23-16)20-24(21,22)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h9-13H,2-8H2,1H3,(H,19,20).
What are the key properties of 4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 365.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 35539079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).