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

C16H16FN5O2S — CID 155193431

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn([C@H](C)CF)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C16H16FN5O2S/c1-10-3-4-14(16-15(10)12(6-18)7-19-16)21-25(23,24)13-8-20-22(9-13)11(2)5-17/h3-4,7-9,11,19,21H,5H2,1-2H3/t11-/m1/s1
InChIKeyWSGDMFSKPXSWNM-LLVKDONJSA-N
MW361.40 g/mol
LogP2.88
Rot. Bonds5

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

N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide (PubChem CID 155193431) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
PubChem CID155193431
Molecular FormulaC16H16FN5O2S
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn([C@H](C)CF)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C16H16FN5O2S/c1-10-3-4-14(16-15(10)12(6-18)7-19-16)21-25(23,24)13-8-20-22(9-13)11(2)5-17/h3-4,7-9,11,19,21H,5H2,1-2H3/t11-/m1/s1
InChIKeyWSGDMFSKPXSWNM-LLVKDONJSA-N
XLogP2.88
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide (CID 155193431) is N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnn([C@H](C)CF)c2)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is WSGDMFSKPXSWNM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c1-10-3-4-14(16-15(10)12(6-18)7-19-16)21-25(23,24)13-8-20-22(9-13)11(2)5-17/h3-4,7-9,11,19,21H,5H2,1-2H3/t11-/m1/s1.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 361.40 g/mol, XLogP of 2.88, 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-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 155193431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).