(E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide

C46H45ClN6O6S2 — CID 160721021

IUPAC(E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide
SMILESCc1ccc(-c2c(Cl)nc(C3CC3)nc2NS(=O)(=O)/C=C/c2ccccc2)cc1.Cc1ccc(-c2c(NS(=O)(=O)/C=C/c3ccccc3)nc(C3CC3)nc2OCCO)cc1
InChIInChI=1S/C24H25N3O4S.C22H20ClN3O2S/c1-17-7-9-19(10-8-17)21-23(25-22(20-11-12-20)26-24(21)31-15-14-28)27-32(29,30)16-13-18-5-3-2-4-6-18;1-15-7-9-17(10-8-15)19-20(23)24-21(18-11-12-18)25-22(19)26-29(27,28)14-13-16-5-3-2-4-6-16/h2-10,13,16,20,28H,11-12,14-15H2,1H3,(H,25,26,27);2-10,13-14,18H,11-12H2,1H3,(H,24,25,26)/b16-13+;14-13+
InChIKeyRTCILCXRGHOITQ-LNUUZKMXSA-N
MW877.49 g/mol
LogP9.51
Rot. Bonds15

About (E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide

(E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide (PubChem CID 160721021) has the molecular formula C46H45ClN6O6S2 and a molecular weight of 877.49 g/mol. Its IUPAC name is (E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide
PubChem CID160721021
Molecular FormulaC46H45ClN6O6S2
Molecular Weight877.49 g/mol
Exact Mass876.25
IUPAC Name(E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide
SMILESCc1ccc(-c2c(Cl)nc(C3CC3)nc2NS(=O)(=O)/C=C/c2ccccc2)cc1.Cc1ccc(-c2c(NS(=O)(=O)/C=C/c3ccccc3)nc(C3CC3)nc2OCCO)cc1
InChIInChI=1S/C24H25N3O4S.C22H20ClN3O2S/c1-17-7-9-19(10-8-17)21-23(25-22(20-11-12-20)26-24(21)31-15-14-28)27-32(29,30)16-13-18-5-3-2-4-6-18;1-15-7-9-17(10-8-15)19-20(23)24-21(18-11-12-18)25-22(19)26-29(27,28)14-13-16-5-3-2-4-6-16/h2-10,13,16,20,28H,11-12,14-15H2,1H3,(H,25,26,27);2-10,13-14,18H,11-12H2,1H3,(H,24,25,26)/b16-13+;14-13+
InChIKeyRTCILCXRGHOITQ-LNUUZKMXSA-N
XLogP9.51
TPSA173.36 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.49
LogP ≤ 59.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(2-cyano-4-pyridinyl)-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 142178172
(E)-N-[5-(4-bromophenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 23394012
(E)-N-[6-[2-(4-bromophenoxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 159356391
N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 70200842
N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide
CID 74047213
(E)-N-[5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 23393995
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 67014664
(E)-N-[6-(3-hydroxypropoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide
CID 10530396
(E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide
CID 10209562
(Z)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide
CID 10283091
4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735421
(E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide
CID 107266757

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide (CID 160721021) is (E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide is Cc1ccc(-c2c(Cl)nc(C3CC3)nc2NS(=O)(=O)/C=C/c2ccccc2)cc1.Cc1ccc(-c2c(NS(=O)(=O)/C=C/c3ccccc3)nc(C3CC3)nc2OCCO)cc1.
What is the InChIKey of (E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide?
The InChIKey is RTCILCXRGHOITQ-LNUUZKMXSA-N. The full InChI is InChI=1S/C24H25N3O4S.C22H20ClN3O2S/c1-17-7-9-19(10-8-17)21-23(25-22(20-11-12-20)26-24(21)31-15-14-28)27-32(29,30)16-13-18-5-3-2-4-6-18;1-15-7-9-17(10-8-15)19-20(23)24-21(18-11-12-18)25-22(19)26-29(27,28)14-13-16-5-3-2-4-6-16/h2-10,13,16,20,28H,11-12,14-15H2,1H3,(H,25,26,27);2-10,13-14,18H,11-12H2,1H3,(H,24,25,26)/b16-13+;14-13+.
What are the key properties of (E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide?
(E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide has a molecular weight of 877.49 g/mol, XLogP of 9.51, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 160721021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).