4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide

C17H23N5O2S — CID 142188527

IUPAC4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1NC1CCCCC1
InChIInChI=1S/C17H23N5O2S/c1-12-11-19-17(22-16(12)20-13-5-3-2-4-6-13)21-14-7-9-15(10-8-14)25(18,23)24/h7-11,13H,2-6H2,1H3,(H2,18,23,24)(H2,19,20,21,22)
InChIKeyCAYBAZZXMFJEPM-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.92
Rot. Bonds5

About 4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 142188527) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID142188527
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1NC1CCCCC1
InChIInChI=1S/C17H23N5O2S/c1-12-11-19-17(22-16(12)20-13-5-3-2-4-6-13)21-14-7-9-15(10-8-14)25(18,23)24/h7-11,13H,2-6H2,1H3,(H2,18,23,24)(H2,19,20,21,22)
InChIKeyCAYBAZZXMFJEPM-UHFFFAOYSA-N
XLogP2.92
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide (CID 142188527) is 4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide is Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1NC1CCCCC1.
What is the InChIKey of 4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is CAYBAZZXMFJEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-12-11-19-17(22-16(12)20-13-5-3-2-4-6-13)21-14-7-9-15(10-8-14)25(18,23)24/h7-11,13H,2-6H2,1H3,(H2,18,23,24)(H2,19,20,21,22).
What are the key properties of 4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 142188527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).