N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide

C19H16FN3O3S2 — CID 59009980

IUPACN-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1)c1ccsc1CO
InChIInChI=1S/C19H16FN3O3S2/c20-15-3-1-13(2-4-15)11-23-17-6-5-16(9-14(17)10-21-23)22-28(25,26)19-7-8-27-18(19)12-24/h1-10,22,24H,11-12H2
InChIKeyBSCSOCJCCYHWLT-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.58
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide

N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide (PubChem CID 59009980) has the molecular formula C19H16FN3O3S2 and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide
PubChem CID59009980
Molecular FormulaC19H16FN3O3S2
Molecular Weight417.49 g/mol
Exact Mass417.06
IUPAC NameN-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1)c1ccsc1CO
InChIInChI=1S/C19H16FN3O3S2/c20-15-3-1-13(2-4-15)11-23-17-6-5-16(9-14(17)10-21-23)22-28(25,26)19-7-8-27-18(19)12-24/h1-10,22,24H,11-12H2
InChIKeyBSCSOCJCCYHWLT-UHFFFAOYSA-N
XLogP3.58
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide (CID 59009980) is N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide is O=S(=O)(Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1)c1ccsc1CO.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide?
The InChIKey is BSCSOCJCCYHWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S2/c20-15-3-1-13(2-4-15)11-23-17-6-5-16(9-14(17)10-21-23)22-28(25,26)19-7-8-27-18(19)12-24/h1-10,22,24H,11-12H2.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide?
N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide has a molecular weight of 417.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 59009980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).