4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide

C10H13N5O4S2 — CID 115638462

IUPAC4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cn1
InChIInChI=1S/C10H13N5O4S2/c11-7-9-1-2-10(8-13-9)20(16,17)14-3-5-15(6-4-14)21(12,18)19/h1-2,8H,3-6H2,(H2,12,18,19)
InChIKeyCOLSFLGBRDSGMC-UHFFFAOYSA-N
MW331.38 g/mol
LogP-1.54
Rot. Bonds3

About 4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide

4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide (PubChem CID 115638462) has the molecular formula C10H13N5O4S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
PubChem CID115638462
Molecular FormulaC10H13N5O4S2
Molecular Weight331.38 g/mol
Exact Mass331.04
IUPAC Name4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cn1
InChIInChI=1S/C10H13N5O4S2/c11-7-9-1-2-10(8-13-9)20(16,17)14-3-5-15(6-4-14)21(12,18)19/h1-2,8H,3-6H2,(H2,12,18,19)
InChIKeyCOLSFLGBRDSGMC-UHFFFAOYSA-N
XLogP-1.54
TPSA137.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 113296343
5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile
CID 115602649
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide
CID 115602654
5-(4-acetylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614764
5-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]pyridine-2-carbonitrile
CID 115870405
5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115752142
5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyridine-2-carbonitrile
CID 115682004
5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352615
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352225
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103990794
5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115630482
5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133358370

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide (CID 115638462) is 4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide is N#Cc1ccc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cn1.
What is the InChIKey of 4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide?
The InChIKey is COLSFLGBRDSGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S2/c11-7-9-1-2-10(8-13-9)20(16,17)14-3-5-15(6-4-14)21(12,18)19/h1-2,8H,3-6H2,(H2,12,18,19).
What are the key properties of 4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide?
4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide has a molecular weight of 331.38 g/mol, XLogP of -1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 115638462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).