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

C18H18ClN3O3S2 — CID 17321687

IUPAC1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCOc1ccc(CCc2nnc(NS(=O)(=O)Cc3ccccc3Cl)s2)cc1
InChIInChI=1S/C18H18ClN3O3S2/c1-25-15-9-6-13(7-10-15)8-11-17-20-21-18(26-17)22-27(23,24)12-14-4-2-3-5-16(14)19/h2-7,9-10H,8,11-12H2,1H3,(H,21,22)
InChIKeyOAHFDOAINPQRHH-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.93
Rot. Bonds8

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

1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide (PubChem CID 17321687) has the molecular formula C18H18ClN3O3S2 and a molecular weight of 423.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide
PubChem CID17321687
Molecular FormulaC18H18ClN3O3S2
Molecular Weight423.95 g/mol
Exact Mass423.05
IUPAC Name1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCOc1ccc(CCc2nnc(NS(=O)(=O)Cc3ccccc3Cl)s2)cc1
InChIInChI=1S/C18H18ClN3O3S2/c1-25-15-9-6-13(7-10-15)8-11-17-20-21-18(26-17)22-27(23,24)12-14-4-2-3-5-16(14)19/h2-7,9-10H,8,11-12H2,1H3,(H,21,22)
InChIKeyOAHFDOAINPQRHH-UHFFFAOYSA-N
XLogP3.93
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 17321688
1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 46971770
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 2928745
1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 4654981
N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 17320302
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
N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 17321306
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17321771
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 43907995
3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide
CID 10193584
1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide
CID 46772712

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide (CID 17321687) is 1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide is COc1ccc(CCc2nnc(NS(=O)(=O)Cc3ccccc3Cl)s2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The InChIKey is OAHFDOAINPQRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S2/c1-25-15-9-6-13(7-10-15)8-11-17-20-21-18(26-17)22-27(23,24)12-14-4-2-3-5-16(14)19/h2-7,9-10H,8,11-12H2,1H3,(H,21,22).
What are the key properties of 1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide?
1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide has a molecular weight of 423.95 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 17321687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).