4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C24H31N3O2S2 — CID 58302671

IUPAC4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(CCCCCCCCCCc2ccccc2)cc1
InChIInChI=1S/C24H31N3O2S2/c28-31(29,27-24-26-25-20-30-24)23-18-16-22(17-19-23)15-9-6-4-2-1-3-5-8-12-21-13-10-7-11-14-21/h7,10-11,13-14,16-20H,1-6,8-9,12,15H2,(H,26,27)
InChIKeyCMWLOJXDIYYIEL-UHFFFAOYSA-N
MW457.67 g/mol
LogP6.24
Rot. Bonds14

About 4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 58302671) has the molecular formula C24H31N3O2S2 and a molecular weight of 457.67 g/mol. Its IUPAC name is 4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID58302671
Molecular FormulaC24H31N3O2S2
Molecular Weight457.67 g/mol
Exact Mass457.19
IUPAC Name4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(CCCCCCCCCCc2ccccc2)cc1
InChIInChI=1S/C24H31N3O2S2/c28-31(29,27-24-26-25-20-30-24)23-18-16-22(17-19-23)15-9-6-4-2-1-3-5-8-12-21-13-10-7-11-14-21/h7,10-11,13-14,16-20H,1-6,8-9,12,15H2,(H,26,27)
InChIKeyCMWLOJXDIYYIEL-UHFFFAOYSA-N
XLogP6.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.67
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(methylamino)propyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081042
4-[2-(propan-2-ylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081200
4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 5049984
4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 91943617
4-(3-chloropropyl)-N-phenylbenzenesulfonamide
CID 28719709
4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
CID 39397991
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 106081189
2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide
CID 70960231
3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 43506641
2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163353225
2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide
CID 43456473

Frequently Asked Questions

What is the IUPAC name of 4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 58302671) is 4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nncs1)c1ccc(CCCCCCCCCCc2ccccc2)cc1.
What is the InChIKey of 4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is CMWLOJXDIYYIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S2/c28-31(29,27-24-26-25-20-30-24)23-18-16-22(17-19-23)15-9-6-4-2-1-3-5-8-12-21-13-10-7-11-14-21/h7,10-11,13-14,16-20H,1-6,8-9,12,15H2,(H,26,27).
What are the key properties of 4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 457.67 g/mol, XLogP of 6.24, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 58302671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).