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

C17H18N6O2S — CID 159864897

IUPAC4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(Cc3cc(C4CC4)n[nH]3)n2)cc1
InChIInChI=1S/C17H18N6O2S/c18-26(24,25)15-5-3-12(4-6-15)20-17-19-8-7-13(21-17)9-14-10-16(23-22-14)11-1-2-11/h3-8,10-11H,1-2,9H2,(H,22,23)(H2,18,24,25)(H,19,20,21)
InChIKeyQAUXJAYQBNJCOG-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.06
Rot. Bonds6

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

4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 159864897) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID159864897
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(Cc3cc(C4CC4)n[nH]3)n2)cc1
InChIInChI=1S/C17H18N6O2S/c18-26(24,25)15-5-3-12(4-6-15)20-17-19-8-7-13(21-17)9-14-10-16(23-22-14)11-1-2-11/h3-8,10-11H,1-2,9H2,(H,22,23)(H2,18,24,25)(H,19,20,21)
InChIKeyQAUXJAYQBNJCOG-UHFFFAOYSA-N
XLogP2.06
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen
CID 160507577
4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891142
4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 58891146
4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 22273547
4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11660670
4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11688891
4-[[4-[[4-[(dimethylsulfamoylamino)methyl]phenyl]methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 121282010
4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167090124
1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
CID 166173003
2-cyclopentyl-1-N-[[2-(methylamino)pyrimidin-4-yl]methyl]benzene-1,4-disulfonamide
CID 142401283
N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide
CID 25017565

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide (CID 159864897) is 4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nccc(Cc3cc(C4CC4)n[nH]3)n2)cc1.
What is the InChIKey of 4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is QAUXJAYQBNJCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c18-26(24,25)15-5-3-12(4-6-15)20-17-19-8-7-13(21-17)9-14-10-16(23-22-14)11-1-2-11/h3-8,10-11H,1-2,9H2,(H,22,23)(H2,18,24,25)(H,19,20,21).
What are the key properties of 4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 370.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 159864897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).