1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide

C18H16FN3O4S — CID 100699329

IUPAC1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1OCC[C@@H]2O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C18H16FN3O4S/c19-14-5-1-2-7-16(14)22-11-12(10-20-22)27(24,25)21-15-6-3-4-13-17(23)8-9-26-18(13)15/h1-7,10-11,17,21,23H,8-9H2/t17-/m0/s1
InChIKeyOBSVTRJCMSCRAE-KRWDZBQOSA-N
MW389.41 g/mol
LogP2.63
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide

1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide (PubChem CID 100699329) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide
PubChem CID100699329
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC Name1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1OCC[C@@H]2O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C18H16FN3O4S/c19-14-5-1-2-7-16(14)22-11-12(10-20-22)27(24,25)21-15-6-3-4-13-17(23)8-9-26-18(13)15/h1-7,10-11,17,21,23H,8-9H2/t17-/m0/s1
InChIKeyOBSVTRJCMSCRAE-KRWDZBQOSA-N
XLogP2.63
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]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

Related Compounds

1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide
CID 119034125
N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide
CID 126805654
4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide
CID 119034124
1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 119974341
N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
CID 119983754
N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride
CID 119983753
N-(2-fluorophenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688101
1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide
CID 100680192
1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride
CID 120586182
3-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989448
1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide
CID 166215188
1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
CID 119978930

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide (CID 100699329) is 1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide is O=S(=O)(Nc1cccc2c1OCC[C@@H]2O)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide?
The InChIKey is OBSVTRJCMSCRAE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c19-14-5-1-2-7-16(14)22-11-12(10-20-22)27(24,25)21-15-6-3-4-13-17(23)8-9-26-18(13)15/h1-7,10-11,17,21,23H,8-9H2/t17-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide?
1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide has a molecular weight of 389.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 100699329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).