N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

C21H25F3N4O2S — CID 15698227

IUPACN-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccc(C(F)(F)F)c(N3CCN(C)CC3)n2)C2CC2)cc1
InChIInChI=1S/C21H25F3N4O2S/c1-15-3-7-17(8-4-15)31(29,30)28(16-5-6-16)19-10-9-18(21(22,23)24)20(25-19)27-13-11-26(2)12-14-27/h3-4,7-10,16H,5-6,11-14H2,1-2H3
InChIKeySWZMTWJTPIIBNE-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.52
Rot. Bonds5

About N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 15698227) has the molecular formula C21H25F3N4O2S and a molecular weight of 454.52 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID15698227
Molecular FormulaC21H25F3N4O2S
Molecular Weight454.52 g/mol
Exact Mass454.17
IUPAC NameN-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccc(C(F)(F)F)c(N3CCN(C)CC3)n2)C2CC2)cc1
InChIInChI=1S/C21H25F3N4O2S/c1-15-3-7-17(8-4-15)31(29,30)28(16-5-6-16)19-10-9-18(21(22,23)24)20(25-19)27-13-11-26(2)12-14-27/h3-4,7-10,16H,5-6,11-14H2,1-2H3
InChIKeySWZMTWJTPIIBNE-UHFFFAOYSA-N
XLogP3.52
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (CID 15698227) is N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccc(C(F)(F)F)c(N3CCN(C)CC3)n2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is SWZMTWJTPIIBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O2S/c1-15-3-7-17(8-4-15)31(29,30)28(16-5-6-16)19-10-9-18(21(22,23)24)20(25-19)27-13-11-26(2)12-14-27/h3-4,7-10,16H,5-6,11-14H2,1-2H3.
What are the key properties of N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 454.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 15698227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).