1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C14H14Cl2N4O3S2 — CID 27234369

IUPAC1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H14Cl2N4O3S2/c15-11-2-1-10(7-12(11)16)25(22,23)20-5-3-9(4-6-20)13(21)18-14-19-17-8-24-14/h1-2,7-9H,3-6H2,(H,18,19,21)
InChIKeyBXUQAGHATQSXBV-UHFFFAOYSA-N
MW421.33 g/mol
LogP2.88
Rot. Bonds4

About 1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 27234369) has the molecular formula C14H14Cl2N4O3S2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID27234369
Molecular FormulaC14H14Cl2N4O3S2
Molecular Weight421.33 g/mol
Exact Mass419.99
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H14Cl2N4O3S2/c15-11-2-1-10(7-12(11)16)25(22,23)20-5-3-9(4-6-20)13(21)18-14-19-17-8-24-14/h1-2,7-9H,3-6H2,(H,18,19,21)
InChIKeyBXUQAGHATQSXBV-UHFFFAOYSA-N
XLogP2.88
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 23826158
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 6471356
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 55977883
4-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 9179278
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27991642
methyl 1-(3,4-dichlorophenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732213
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27447398
3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1101754
N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 56532804
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 41163950

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 27234369) is 1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nncs1)C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is BXUQAGHATQSXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O3S2/c15-11-2-1-10(7-12(11)16)25(22,23)20-5-3-9(4-6-20)13(21)18-14-19-17-8-24-14/h1-2,7-9H,3-6H2,(H,18,19,21).
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 421.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 27234369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).