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 89203066
CID 89203066
4-[[5-(4-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
CID 6539616
4-[3-morpholin-4-yl-N-(1H-pyrazol-5-yl)anilino]benzenesulfonamide
CID 90886976
4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 58891146
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-4-phenylbenzenesulfonamide
CID 122355000
6-chloro-N-(3-morpholin-4-ylphenyl)pyridine-3-sulfonamide
CID 110423235
2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117087554
4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101719
4-(morpholin-4-ylamino)benzenesulfonamide
CID 83026277
4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 68941490
4-[[5-morpholin-4-yl-4-[(1-propan-2-yl-1,2,4-triazol-3-yl)amino]-2-pyridinyl]amino]benzenesulfonamide
CID 11351588
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153

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).