1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide

C18H18ClN3O2S2 — CID 17321688

IUPAC1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCC(Cc1nnc(NS(=O)(=O)Cc2ccccc2Cl)s1)c1ccccc1
InChIInChI=1S/C18H18ClN3O2S2/c1-13(14-7-3-2-4-8-14)11-17-20-21-18(25-17)22-26(23,24)12-15-9-5-6-10-16(15)19/h2-10,13H,11-12H2,1H3,(H,21,22)
InChIKeyZSIBYXBNKRKAQJ-UHFFFAOYSA-N
MW407.95 g/mol
LogP4.48
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide

1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (PubChem CID 17321688) has the molecular formula C18H18ClN3O2S2 and a molecular weight of 407.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
PubChem CID17321688
Molecular FormulaC18H18ClN3O2S2
Molecular Weight407.95 g/mol
Exact Mass407.05
IUPAC Name1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCC(Cc1nnc(NS(=O)(=O)Cc2ccccc2Cl)s1)c1ccccc1
InChIInChI=1S/C18H18ClN3O2S2/c1-13(14-7-3-2-4-8-14)11-17-20-21-18(25-17)22-26(23,24)12-15-9-5-6-10-16(15)19/h2-10,13H,11-12H2,1H3,(H,21,22)
InChIKeyZSIBYXBNKRKAQJ-UHFFFAOYSA-N
XLogP4.48
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 17321687
1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 4654981
2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320712
N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 17257540
1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 17257620
1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 106262446
N-(2-amino-2-phenylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
CID 84591502
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 697506
2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17321307
N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 17013347
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide
CID 106262441

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (CID 17321688) is 1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is CC(Cc1nnc(NS(=O)(=O)Cc2ccccc2Cl)s1)c1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The InChIKey is ZSIBYXBNKRKAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S2/c1-13(14-7-3-2-4-8-14)11-17-20-21-18(25-17)22-26(23,24)12-15-9-5-6-10-16(15)19/h2-10,13H,11-12H2,1H3,(H,21,22).
What are the key properties of 1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide has a molecular weight of 407.95 g/mol, XLogP of 4.48, 7 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-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 17321688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).