4-({3-[3-(morpholin-4-yl)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide

C19H21N5O3S — CID 6539631

IUPAC4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESC1COCCN1C2=CC=CC(=C2)C3=CC(=NN3)NC4=CC=C(C=C4)S(=O)(=O)N
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
MW399.50 g/mol
LogP2.10
Rot. Bonds5

About 4-({3-[3-(morpholin-4-yl)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide

4-({3-[3-(morpholin-4-yl)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide (PubChem CID 6539631) has the molecular formula C19H21N5O3S and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-({3-[3-(morpholin-4-yl)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide
PubChem CID6539631
Molecular FormulaC19H21N5O3S
Molecular Weight399.50 g/mol
Exact Mass399.14
IUPAC Name4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESC1COCCN1C2=CC=CC(=C2)C3=CC(=NN3)NC4=CC=C(C=C4)S(=O)(=O)N
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
XLogP2.10
TPSA122.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity599

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-({3-[3-(morpholin-4-yl)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide?
The IUPAC name of 4-({3-[3-(morpholin-4-yl)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide (CID 6539631) is 4-[[5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-({3-[3-(morpholin-4-yl)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide?
The canonical SMILES for 4-({3-[3-(morpholin-4-yl)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide is C1COCCN1C2=CC=CC(=C2)C3=CC(=NN3)NC4=CC=C(C=C4)S(=O)(=O)N.
What is the InChIKey of 4-({3-[3-(morpholin-4-yl)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide?
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-({3-[3-(morpholin-4-yl)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide?
4-({3-[3-(morpholin-4-yl)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide has a molecular weight of 399.50 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-({3-[3-(morpholin-4-yl)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide is sourced from PubChem (CID 6539631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).