N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide

C19H24F3N5O2S — CID 11532338

IUPACN-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCN(C)CC3)nc2C(F)(F)F)cc1
InChIInChI=1S/C19H24F3N5O2S/c1-13(2)14-4-6-15(7-5-14)30(28,29)25-16-12-23-18(24-17(16)19(20,21)22)27-10-8-26(3)9-11-27/h4-7,12-13,25H,8-11H2,1-3H3
InChIKeyIIPZBZLJUJWRJN-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.17
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide

N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 11532338) has the molecular formula C19H24F3N5O2S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID11532338
Molecular FormulaC19H24F3N5O2S
Molecular Weight443.50 g/mol
Exact Mass443.16
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCN(C)CC3)nc2C(F)(F)F)cc1
InChIInChI=1S/C19H24F3N5O2S/c1-13(2)14-4-6-15(7-5-14)30(28,29)25-16-12-23-18(24-17(16)19(20,21)22)27-10-8-26(3)9-11-27/h4-7,12-13,25H,8-11H2,1-3H3
InChIKeyIIPZBZLJUJWRJN-UHFFFAOYSA-N
XLogP3.17
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
CID 11503485
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
4-methyl-2-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504141
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 113092411
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 110405212
4-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8860759
N-[4-methyl-6-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 69146073
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 59135295
4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide
CID 122320377
2-(azepan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054535
3,4-dichloro-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzenesulfonamide
CID 91969195

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide (CID 11532338) is N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCN(C)CC3)nc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is IIPZBZLJUJWRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O2S/c1-13(2)14-4-6-15(7-5-14)30(28,29)25-16-12-23-18(24-17(16)19(20,21)22)27-10-8-26(3)9-11-27/h4-7,12-13,25H,8-11H2,1-3H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide?
N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 443.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 11532338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).