N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide

C19H24F3N5O2S — CID 59177293

IUPACN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2cnn(C(C)C)c2C)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H24F3N5O2S/c1-6-26-16-9-14(19(20,21)22)7-8-15(16)24-18(26)12(4)25-30(28,29)17-10-23-27(11(2)3)13(17)5/h7-12,25H,6H2,1-5H3/t12-/m1/s1
InChIKeySVWZKEHXUIQRMW-GFCCVEGCSA-N
MW443.50 g/mol
LogP4.20
Rot. Bonds6

About N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide

N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 59177293) has the molecular formula C19H24F3N5O2S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID59177293
Molecular FormulaC19H24F3N5O2S
Molecular Weight443.50 g/mol
Exact Mass443.16
IUPAC NameN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2cnn(C(C)C)c2C)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H24F3N5O2S/c1-6-26-16-9-14(19(20,21)22)7-8-15(16)24-18(26)12(4)25-30(28,29)17-10-23-27(11(2)3)13(17)5/h7-12,25H,6H2,1-5H3/t12-/m1/s1
InChIKeySVWZKEHXUIQRMW-GFCCVEGCSA-N
XLogP4.20
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 59177293) is N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2cnn(C(C)C)c2C)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is SVWZKEHXUIQRMW-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24F3N5O2S/c1-6-26-16-9-14(19(20,21)22)7-8-15(16)24-18(26)12(4)25-30(28,29)17-10-23-27(11(2)3)13(17)5/h7-12,25H,6H2,1-5H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 443.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 59177293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).