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

C12H14ClN3O3S2 — CID 46971770

IUPAC1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCOCCc1nnc(NS(=O)(=O)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C12H14ClN3O3S2/c1-19-7-6-11-14-15-12(20-11)16-21(17,18)8-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,15,16)
InChIKeyDPPRKPUGQDTGAO-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.32
Rot. Bonds7

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

1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (PubChem CID 46971770) has the molecular formula C12H14ClN3O3S2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
PubChem CID46971770
Molecular FormulaC12H14ClN3O3S2
Molecular Weight347.85 g/mol
Exact Mass347.02
IUPAC Name1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCOCCc1nnc(NS(=O)(=O)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C12H14ClN3O3S2/c1-19-7-6-11-14-15-12(20-11)16-21(17,18)8-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,15,16)
InChIKeyDPPRKPUGQDTGAO-UHFFFAOYSA-N
XLogP2.32
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (CID 46971770) is 1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is COCCc1nnc(NS(=O)(=O)Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The InChIKey is DPPRKPUGQDTGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S2/c1-19-7-6-11-14-15-12(20-11)16-21(17,18)8-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,15,16).
What are the key properties of 1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide has a molecular weight of 347.85 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 46971770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).