4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide

C18H19N5O3S — CID 57446795

IUPAC4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCO)cc3)n2)cc1
InChIInChI=1S/C18H19N5O3S/c19-14-3-1-13(2-4-14)17-9-10-20-18(23-17)22-15-5-7-16(8-6-15)27(25,26)21-11-12-24/h1-10,21,24H,11-12,19H2,(H,20,22,23)
InChIKeyNKNWQOLZRQSFRK-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.74
Rot. Bonds7

About 4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide

4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 57446795) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID57446795
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCO)cc3)n2)cc1
InChIInChI=1S/C18H19N5O3S/c19-14-3-1-13(2-4-14)17-9-10-20-18(23-17)22-15-5-7-16(8-6-15)27(25,26)21-11-12-24/h1-10,21,24H,11-12,19H2,(H,20,22,23)
InChIKeyNKNWQOLZRQSFRK-UHFFFAOYSA-N
XLogP1.74
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-[2-[3-(Diethylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]-3-methylurea
CID 71456728
hSMG-1 inhibitor 11e
CID 71458574
4-({4-[(2-Fluoro-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 6539017
1-Methyl-3-[4-[4-[2-(3-sulfamoylanilino)pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71449587
1-Methyl-3-[4-[4-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71453205
1-Methyl-3-[4-[4-[2-[4-methyl-3-(methylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71453206
1-[4-[4-[2-[3-(Diethylsulfamoyl)-4-methylanilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]-3-methylurea
CID 71454944
1-Methyl-3-[4-[4-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71458573
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenylacetamide
CID 1218957
2-methyl-N-[4-({4-[(E)-2-phenylethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]propanamide
CID 5929378
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide
CID 2915170
2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 3148017

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide (CID 57446795) is 4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide is Nc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCO)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is NKNWQOLZRQSFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c19-14-3-1-13(2-4-14)17-9-10-20-18(23-17)22-15-5-7-16(8-6-15)27(25,26)21-11-12-24/h1-10,21,24H,11-12,19H2,(H,20,22,23).
What are the key properties of 4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide?
4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.74, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 57446795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).