N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide

C19H24F3N5O2S — CID 59177203

IUPACN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c(C)n1
InChIInChI=1S/C19H24F3N5O2S/c1-5-9-26-11-17(12(3)24-26)30(28,29)25-13(4)18-23-15-8-7-14(19(20,21)22)10-16(15)27(18)6-2/h7-8,10-11,13,25H,5-6,9H2,1-4H3/t13-/m1/s1
InChIKeyIWVZUTSNVCDNKP-CYBMUJFWSA-N
MW443.50 g/mol
LogP4.03
Rot. Bonds7

About N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide

N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide (PubChem CID 59177203) 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]-3-methyl-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide
PubChem CID59177203
Molecular FormulaC19H24F3N5O2S
Molecular Weight443.50 g/mol
Exact Mass443.16
IUPAC NameN-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c(C)n1
InChIInChI=1S/C19H24F3N5O2S/c1-5-9-26-11-17(12(3)24-26)30(28,29)25-13(4)18-23-15-8-7-14(19(20,21)22)10-16(15)27(18)6-2/h7-8,10-11,13,25H,5-6,9H2,1-4H3/t13-/m1/s1
InChIKeyIWVZUTSNVCDNKP-CYBMUJFWSA-N
XLogP4.03
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.03
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]-3-methyl-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide (CID 59177203) is N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c(C)n1.
What is the InChIKey of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide?
The InChIKey is IWVZUTSNVCDNKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24F3N5O2S/c1-5-9-26-11-17(12(3)24-26)30(28,29)25-13(4)18-23-15-8-7-14(19(20,21)22)10-16(15)27(18)6-2/h7-8,10-11,13,25H,5-6,9H2,1-4H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide?
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide has a molecular weight of 443.50 g/mol, XLogP of 4.03, 7 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]-3-methyl-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 59177203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).