N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide

C15H14FN5O3S — CID 155193301

IUPACN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide
SMILESC[C@H](CO)n1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C15H14FN5O3S/c1-9(8-22)21-7-11(6-19-21)25(23,24)20-13-3-2-12(16)14-10(4-17)5-18-15(13)14/h2-3,5-7,9,18,20,22H,8H2,1H3/t9-/m1/s1
InChIKeyGDYQFPKQELRIQY-SECBINFHSA-N
MW363.37 g/mol
LogP1.73
Rot. Bonds5

About N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide

N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide (PubChem CID 155193301) has the molecular formula C15H14FN5O3S and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide
PubChem CID155193301
Molecular FormulaC15H14FN5O3S
Molecular Weight363.37 g/mol
Exact Mass363.08
IUPAC NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide
SMILESC[C@H](CO)n1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C15H14FN5O3S/c1-9(8-22)21-7-11(6-19-21)25(23,24)20-13-3-2-12(16)14-10(4-17)5-18-15(13)14/h2-3,5-7,9,18,20,22H,8H2,1H3/t9-/m1/s1
InChIKeyGDYQFPKQELRIQY-SECBINFHSA-N
XLogP1.73
TPSA123.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide (CID 155193301) is N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide is C[C@H](CO)n1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cn1.
What is the InChIKey of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is GDYQFPKQELRIQY-SECBINFHSA-N. The full InChI is InChI=1S/C15H14FN5O3S/c1-9(8-22)21-7-11(6-19-21)25(23,24)20-13-3-2-12(16)14-10(4-17)5-18-15(13)14/h2-3,5-7,9,18,20,22H,8H2,1H3/t9-/m1/s1.
What are the key properties of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide?
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 363.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 155193301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).