N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide

C15H17F3N4O3S — CID 166100921

IUPACN-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(N[C@@H]1CNC[C@H]1OCc1ccc(C(F)(F)F)cc1)c1cnc[nH]1
InChIInChI=1S/C15H17F3N4O3S/c16-15(17,18)11-3-1-10(2-4-11)8-25-13-6-19-5-12(13)22-26(23,24)14-7-20-9-21-14/h1-4,7,9,12-13,19,22H,5-6,8H2,(H,20,21)/t12-,13-/m1/s1
InChIKeyBQTVDIXXHYKTPD-CHWSQXEVSA-N
MW390.39 g/mol
LogP1.26
Rot. Bonds6

About N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide

N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide (PubChem CID 166100921) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide
PubChem CID166100921
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC NameN-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(N[C@@H]1CNC[C@H]1OCc1ccc(C(F)(F)F)cc1)c1cnc[nH]1
InChIInChI=1S/C15H17F3N4O3S/c16-15(17,18)11-3-1-10(2-4-11)8-25-13-6-19-5-12(13)22-26(23,24)14-7-20-9-21-14/h1-4,7,9,12-13,19,22H,5-6,8H2,(H,20,21)/t12-,13-/m1/s1
InChIKeyBQTVDIXXHYKTPD-CHWSQXEVSA-N
XLogP1.26
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide (CID 166100921) is N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide is O=S(=O)(N[C@@H]1CNC[C@H]1OCc1ccc(C(F)(F)F)cc1)c1cnc[nH]1.
What is the InChIKey of N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide?
The InChIKey is BQTVDIXXHYKTPD-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c16-15(17,18)11-3-1-10(2-4-11)8-25-13-6-19-5-12(13)22-26(23,24)14-7-20-9-21-14/h1-4,7,9,12-13,19,22H,5-6,8H2,(H,20,21)/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide?
N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide has a molecular weight of 390.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 166100921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).