N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide

C16H18N4O2S2 — CID 164636094

IUPACN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide
SMILESCc1cc(C)n([C@@H](CNS(=O)(=O)c2cccnc2)c2cccs2)n1
InChIInChI=1S/C16H18N4O2S2/c1-12-9-13(2)20(19-12)15(16-6-4-8-23-16)11-18-24(21,22)14-5-3-7-17-10-14/h3-10,15,18H,11H2,1-2H3/t15-/m0/s1
InChIKeyDNMXYSJPYJPWRJ-HNNXBMFYSA-N
MW362.48 g/mol
LogP2.52
Rot. Bonds6

About N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide

N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide (PubChem CID 164636094) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide
PubChem CID164636094
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide
SMILESCc1cc(C)n([C@@H](CNS(=O)(=O)c2cccnc2)c2cccs2)n1
InChIInChI=1S/C16H18N4O2S2/c1-12-9-13(2)20(19-12)15(16-6-4-8-23-16)11-18-24(21,22)14-5-3-7-17-10-14/h3-10,15,18H,11H2,1-2H3/t15-/m0/s1
InChIKeyDNMXYSJPYJPWRJ-HNNXBMFYSA-N
XLogP2.52
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide (CID 164636094) is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide is Cc1cc(C)n([C@@H](CNS(=O)(=O)c2cccnc2)c2cccs2)n1.
What is the InChIKey of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide?
The InChIKey is DNMXYSJPYJPWRJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-12-9-13(2)20(19-12)15(16-6-4-8-23-16)11-18-24(21,22)14-5-3-7-17-10-14/h3-10,15,18H,11H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide?
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 164636094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).