N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide

C20H19F3N4O3S2 — CID 25019897

IUPACN-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C20H19F3N4O3S2/c1-27-16(9-18(25-27)20(21,22)23)17-6-7-19(31-17)32(29,30)26-13(11-28)8-12-10-24-15-5-3-2-4-14(12)15/h2-7,9-10,13,24,26,28H,8,11H2,1H3/t13-/m1/s1
InChIKeyJLWMZNCBHHCRGN-CYBMUJFWSA-N
MW484.53 g/mol
LogP3.53
Rot. Bonds7

About N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide

N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide (PubChem CID 25019897) has the molecular formula C20H19F3N4O3S2 and a molecular weight of 484.53 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide
PubChem CID25019897
Molecular FormulaC20H19F3N4O3S2
Molecular Weight484.53 g/mol
Exact Mass484.09
IUPAC NameN-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C20H19F3N4O3S2/c1-27-16(9-18(25-27)20(21,22)23)17-6-7-19(31-17)32(29,30)26-13(11-28)8-12-10-24-15-5-3-2-4-14(12)15/h2-7,9-10,13,24,26,28H,8,11H2,1H3/t13-/m1/s1
InChIKeyJLWMZNCBHHCRGN-CYBMUJFWSA-N
XLogP3.53
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide (CID 25019897) is N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide is Cn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)s1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is JLWMZNCBHHCRGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19F3N4O3S2/c1-27-16(9-18(25-27)20(21,22)23)17-6-7-19(31-17)32(29,30)26-13(11-28)8-12-10-24-15-5-3-2-4-14(12)15/h2-7,9-10,13,24,26,28H,8,11H2,1H3/t13-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide?
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 484.53 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 25019897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).