4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

C19H21N5O3S — CID 6539631

IUPAC4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cc(-c3cccc(N4CCOCC4)c3)[nH]n2)cc1
InChIInChI=1S/C19H21N5O3S/c20-28(25,26)17-6-4-15(5-7-17)21-19-13-18(22-23-19)14-2-1-3-16(12-14)24-8-10-27-11-9-24/h1-7,12-13H,8-11H2,(H2,20,25,26)(H2,21,22,23)
InChIKeyOTYOSKLKYVXQAT-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.30
Rot. Bonds5

About 4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (PubChem CID 6539631) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
PubChem CID6539631
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cc(-c3cccc(N4CCOCC4)c3)[nH]n2)cc1
InChIInChI=1S/C19H21N5O3S/c20-28(25,26)17-6-4-15(5-7-17)21-19-13-18(22-23-19)14-2-1-3-16(12-14)24-8-10-27-11-9-24/h1-7,12-13H,8-11H2,(H2,20,25,26)(H2,21,22,23)
InChIKeyOTYOSKLKYVXQAT-UHFFFAOYSA-N
XLogP2.30
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 6539618
CID 6539618
CID 6539621
CID 6539621
CID 6539622
CID 6539622
CID 6539623
CID 6539623
CID 6539627
CID 6539627
CID 6539632
CID 6539632
CID 56659759
CID 56659759
CID 56663290
CID 56663290
CID 56666717
CID 56666717
CID 56676922
CID 56676922
CID 56676975
CID 56676975
CID 156009926
CID 156009926

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (CID 6539631) is 4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2cc(-c3cccc(N4CCOCC4)c3)[nH]n2)cc1.
What is the InChIKey of 4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The InChIKey is OTYOSKLKYVXQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c20-28(25,26)17-6-4-15(5-7-17)21-19-13-18(22-23-19)14-2-1-3-16(12-14)24-8-10-27-11-9-24/h1-7,12-13H,8-11H2,(H2,20,25,26)(H2,21,22,23).
What are the key properties of 4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide has a molecular weight of 399.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 6539631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).