3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen

C17H23N5O2S — CID 160507577

IUPAC3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen
SMILESNS(=O)(=O)c1cccc(-c2nccc(Cc3cc(C4CC4)n[nH]3)n2)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H17N5O2S.3H2/c18-25(23,24)15-3-1-2-12(8-15)17-19-7-6-13(20-17)9-14-10-16(22-21-14)11-4-5-11;;;/h1-3,6-8,10-11H,4-5,9H2,(H,21,22)(H2,18,23,24);3*1H
InChIKeyQSPPGJYFLSNRME-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.72
Rot. Bonds5

About 3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen

3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen (PubChem CID 160507577) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen
PubChem CID160507577
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen
SMILESNS(=O)(=O)c1cccc(-c2nccc(Cc3cc(C4CC4)n[nH]3)n2)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H17N5O2S.3H2/c18-25(23,24)15-3-1-2-12(8-15)17-19-7-6-13(20-17)9-14-10-16(22-21-14)11-4-5-11;;;/h1-3,6-8,10-11H,4-5,9H2,(H,21,22)(H2,18,23,24);3*1H
InChIKeyQSPPGJYFLSNRME-UHFFFAOYSA-N
XLogP2.72
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen?
The IUPAC name of 3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen (CID 160507577) is 3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen?
The canonical SMILES for 3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen is NS(=O)(=O)c1cccc(-c2nccc(Cc3cc(C4CC4)n[nH]3)n2)c1.[H][H].[H][H].[H][H].
What is the InChIKey of 3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen?
The InChIKey is QSPPGJYFLSNRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S.3H2/c18-25(23,24)15-3-1-2-12(8-15)17-19-7-6-13(20-17)9-14-10-16(22-21-14)11-4-5-11;;;/h1-3,6-8,10-11H,4-5,9H2,(H,21,22)(H2,18,23,24);3*1H.
What are the key properties of 3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen?
3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen has a molecular weight of 361.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 160507577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).