N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide

C19H21N5O2S — CID 44522245

IUPACN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
SMILESCCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C19H21N5O2S/c1-3-20-18-13-14(2)21-19(23-18)22-15-9-11-16(12-10-15)24-27(25,26)17-7-5-4-6-8-17/h4-13,24H,3H2,1-2H3,(H2,20,21,22,23)
InChIKeyRYPMZIIQCCGQCW-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.76
Rot. Bonds7

About N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide

N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide (PubChem CID 44522245) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
PubChem CID44522245
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
SMILESCCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C19H21N5O2S/c1-3-20-18-13-14(2)21-19(23-18)22-15-9-11-16(12-10-15)24-27(25,26)17-7-5-4-6-8-17/h4-13,24H,3H2,1-2H3,(H2,20,21,22,23)
InChIKeyRYPMZIIQCCGQCW-UHFFFAOYSA-N
XLogP3.76
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide (CID 44522245) is N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide is CCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is RYPMZIIQCCGQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-3-20-18-13-14(2)21-19(23-18)22-15-9-11-16(12-10-15)24-27(25,26)17-7-5-4-6-8-17/h4-13,24H,3H2,1-2H3,(H2,20,21,22,23).
What are the key properties of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide?
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 383.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 44522245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).