4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide

C11H20ClN5O2S2 — CID 31690140

IUPAC4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C11H20ClN5O2S2/c1-3-16(4-2)21(18,19)17-7-5-15(6-8-17)9-10-11(12)20-14-13-10/h3-9H2,1-2H3
InChIKeyHSCTVRBOKOXHNU-UHFFFAOYSA-N
MW353.90 g/mol
LogP0.90
Rot. Bonds6

About 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide

4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide (PubChem CID 31690140) has the molecular formula C11H20ClN5O2S2 and a molecular weight of 353.90 g/mol. Its IUPAC name is 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide
PubChem CID31690140
Molecular FormulaC11H20ClN5O2S2
Molecular Weight353.90 g/mol
Exact Mass353.07
IUPAC Name4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C11H20ClN5O2S2/c1-3-16(4-2)21(18,19)17-7-5-15(6-8-17)9-10-11(12)20-14-13-10/h3-9H2,1-2H3
InChIKeyHSCTVRBOKOXHNU-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
CID 43408567
5-Chloro-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole
CID 52367106
5-Chloro-4-[[4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole
CID 45883914
1-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]piperidine
CID 1473724
5-Chloro-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]thiadiazole
CID 32232965
5-Chloro-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]thiadiazole
CID 40009962
5-Chloro-4-[(4-methylpiperazin-1-yl)methyl]thiadiazole
CID 43408455
N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine
CID 43408457
5-Chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole
CID 43408474
5-Chloro-4-[(2-ethylpiperidin-1-yl)methyl]thiadiazole
CID 43408476
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine
CID 43408555
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylbutan-1-amine
CID 43408559

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide (CID 31690140) is 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide?
The InChIKey is HSCTVRBOKOXHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O2S2/c1-3-16(4-2)21(18,19)17-7-5-15(6-8-17)9-10-11(12)20-14-13-10/h3-9H2,1-2H3.
What are the key properties of 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide?
4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide has a molecular weight of 353.90 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide is sourced from PubChem (CID 31690140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).