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

C15H18ClN3O2S2 — CID 17257620

IUPAC1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C15H18ClN3O2S2/c16-13-9-5-4-8-12(13)10-23(20,21)19-15-18-17-14(22-15)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,19)
InChIKeyBJVAKKIZXRBHHS-UHFFFAOYSA-N
MW371.92 g/mol
LogP4.18
Rot. Bonds5

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

1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (PubChem CID 17257620) has the molecular formula C15H18ClN3O2S2 and a molecular weight of 371.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
PubChem CID17257620
Molecular FormulaC15H18ClN3O2S2
Molecular Weight371.92 g/mol
Exact Mass371.05
IUPAC Name1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C15H18ClN3O2S2/c16-13-9-5-4-8-12(13)10-23(20,21)19-15-18-17-14(22-15)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,19)
InChIKeyBJVAKKIZXRBHHS-UHFFFAOYSA-N
XLogP4.18
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.92
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 4654981
1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 17321688
N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 17257540
1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 17321687
2-benzylsulfonyl-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
CID 647806
1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
CID 86972438
2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide
CID 17321697
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 167983764
1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 3944658
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide
CID 167789540
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
CID 3590275
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea
CID 35524324

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (CID 17257620) is 1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The InChIKey is BJVAKKIZXRBHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S2/c16-13-9-5-4-8-12(13)10-23(20,21)19-15-18-17-14(22-15)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,19).
What are the key properties of 1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide has a molecular weight of 371.92 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 17257620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).