4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide

C19H21N5O3S — CID 90886976

IUPAC4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N(c2cccc(N3CCOCC3)c2)c2ccn[nH]2)cc1
InChIInChI=1S/C19H21N5O3S/c20-28(25,26)18-6-4-15(5-7-18)24(19-8-9-21-22-19)17-3-1-2-16(14-17)23-10-12-27-13-11-23/h1-9,14H,10-13H2,(H,21,22)(H2,20,25,26)
InChIKeyDEVAHWNXECIDIS-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.36
Rot. Bonds5

About 4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide

4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide (PubChem CID 90886976) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide
PubChem CID90886976
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N(c2cccc(N3CCOCC3)c2)c2ccn[nH]2)cc1
InChIInChI=1S/C19H21N5O3S/c20-28(25,26)18-6-4-15(5-7-18)24(19-8-9-21-22-19)17-3-1-2-16(14-17)23-10-12-27-13-11-23/h1-9,14H,10-13H2,(H,21,22)(H2,20,25,26)
InChIKeyDEVAHWNXECIDIS-UHFFFAOYSA-N
XLogP2.36
TPSA104.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide?
The IUPAC name of 4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide (CID 90886976) is 4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide.
What is the SMILES notation for 4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide?
The canonical SMILES for 4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide is NS(=O)(=O)c1ccc(N(c2cccc(N3CCOCC3)c2)c2ccn[nH]2)cc1.
What is the InChIKey of 4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide?
The InChIKey is DEVAHWNXECIDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c20-28(25,26)18-6-4-15(5-7-18)24(19-8-9-21-22-19)17-3-1-2-16(14-17)23-10-12-27-13-11-23/h1-9,14H,10-13H2,(H,21,22)(H2,20,25,26).
What are the key properties of 4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide?
4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide has a molecular weight of 399.48 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide is sourced from PubChem (CID 90886976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).