4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide

C17H23N5O3S — CID 5329599

IUPAC4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNc1cc(OCC2CCCCC2)nc(Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H23N5O3S/c18-15-10-16(25-11-12-4-2-1-3-5-12)22-17(21-15)20-13-6-8-14(9-7-13)26(19,23)24/h6-10,12H,1-5,11H2,(H2,19,23,24)(H3,18,20,21,22)
InChIKeyALNJIRVGTQKZMG-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.41
Rot. Bonds6

About 4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 5329599) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID5329599
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNc1cc(OCC2CCCCC2)nc(Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H23N5O3S/c18-15-10-16(25-11-12-4-2-1-3-5-12)22-17(21-15)20-13-6-8-14(9-7-13)26(19,23)24/h6-10,12H,1-5,11H2,(H2,19,23,24)(H3,18,20,21,22)
InChIKeyALNJIRVGTQKZMG-UHFFFAOYSA-N
XLogP2.41
TPSA133.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sulfadimethoxine
CID 5323
Sulfametomidine
CID 19596
4-((5-(Cyclohexylmethoxy)(1,2,4)triazolo(1,5-A)pyrimidin-7-YL)amino)benzenesulfonamide
CID 23586145
4-{[4-Amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino}benzene-1-sulfonamide
CID 5329603
4-[[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide
CID 16719774
N4-Acetylsulfadimethoxine
CID 473359
Sulfadimethoxine Sodium
CID 13384041
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-o-tolyloxy-acetamide
CID 647000
4-{[(cyclohexylamino)carbonyl]amino}-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide
CID 1051582
4-[(anilinocarbonothioyl)amino]-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide
CID 1631992
N-(2,6-dimethoxy-4-pyrimidinyl)-4-({[(3-methylbutanoyl)amino]carbothioyl}amino)benzenesulfonamide
CID 1791757
4-(benzenesulfonamido)-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 1818542

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide (CID 5329599) is 4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide is Nc1cc(OCC2CCCCC2)nc(Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is ALNJIRVGTQKZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c18-15-10-16(25-11-12-4-2-1-3-5-12)22-17(21-15)20-13-6-8-14(9-7-13)26(19,23)24/h6-10,12H,1-5,11H2,(H2,19,23,24)(H3,18,20,21,22).
What are the key properties of 4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 5329599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).