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

C15H13F2N5O2S — CID 155193428

IUPACN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
SMILESC[C@H](CF)n1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C15H13F2N5O2S/c1-9(4-16)22-8-11(7-20-22)25(23,24)21-13-3-2-12(17)14-10(5-18)6-19-15(13)14/h2-3,6-9,19,21H,4H2,1H3/t9-/m1/s1
InChIKeyGHZONOPTDWDGJR-SECBINFHSA-N
MW365.37 g/mol
LogP2.71
Rot. Bonds5

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

N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide (PubChem CID 155193428) has the molecular formula C15H13F2N5O2S and a molecular weight of 365.37 g/mol. Its IUPAC name is N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
PubChem CID155193428
Molecular FormulaC15H13F2N5O2S
Molecular Weight365.37 g/mol
Exact Mass365.08
IUPAC NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
SMILESC[C@H](CF)n1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C15H13F2N5O2S/c1-9(4-16)22-8-11(7-20-22)25(23,24)21-13-3-2-12(17)14-10(5-18)6-19-15(13)14/h2-3,6-9,19,21H,4H2,1H3/t9-/m1/s1
InChIKeyGHZONOPTDWDGJR-SECBINFHSA-N
XLogP2.71
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide
CID 155708755
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193431
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155708719
2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide
CID 155193523
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155708776
1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
CID 167077237
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide
CID 155193640
N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide
CID 174262180
2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide
CID 155708771
5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155193520
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-(cyclopropylmethyl)pyrazole-4-sulfonamide
CID 155193709
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(1-cyanocyclopropyl)methyl]pyrazole-4-sulfonamide
CID 155193526

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide (CID 155193428) is N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide is C[C@H](CF)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-fluoropropan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is GHZONOPTDWDGJR-SECBINFHSA-N. The full InChI is InChI=1S/C15H13F2N5O2S/c1-9(4-16)22-8-11(7-20-22)25(23,24)21-13-3-2-12(17)14-10(5-18)6-19-15(13)14/h2-3,6-9,19,21H,4H2,1H3/t9-/m1/s1.
What are the key properties of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide?
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 365.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 155193428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).