N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C21H22FN5O3S — CID 16665610

IUPACN-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N[C@@H](C)COc1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C21H22FN5O3S/c1-13(26-31(28,29)21-14(2)24-25-15(21)3)12-30-20-6-4-5-19-18(20)11-23-27(19)17-9-7-16(22)8-10-17/h4-11,13,26H,12H2,1-3H3,(H,24,25)/t13-/m0/s1
InChIKeyPYLIMHXEGHQRFT-ZDUSSCGKSA-N
MW443.50 g/mol
LogP3.25
Rot. Bonds7

About N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 16665610) has the molecular formula C21H22FN5O3S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID16665610
Molecular FormulaC21H22FN5O3S
Molecular Weight443.50 g/mol
Exact Mass443.14
IUPAC NameN-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N[C@@H](C)COc1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C21H22FN5O3S/c1-13(26-31(28,29)21-14(2)24-25-15(21)3)12-30-20-6-4-5-19-18(20)11-23-27(19)17-9-7-16(22)8-10-17/h4-11,13,26H,12H2,1-3H3,(H,24,25)/t13-/m0/s1
InChIKeyPYLIMHXEGHQRFT-ZDUSSCGKSA-N
XLogP3.25
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 16665610) is N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](C)COc1cccc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is PYLIMHXEGHQRFT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22FN5O3S/c1-13(26-31(28,29)21-14(2)24-25-15(21)3)12-30-20-6-4-5-19-18(20)11-23-27(19)17-9-7-16(22)8-10-17/h4-11,13,26H,12H2,1-3H3,(H,24,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 443.50 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 16665610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).