3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide

C18H19FN4O3S — CID 73331957

IUPAC3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide
SMILESCc1cc(Nc2n[nH]c3ccc(S(=O)(=O)N[C@H]4CCOC4)cc23)ccc1F
InChIInChI=1S/C18H19FN4O3S/c1-11-8-12(2-4-16(11)19)20-18-15-9-14(3-5-17(15)21-22-18)27(24,25)23-13-6-7-26-10-13/h2-5,8-9,13,23H,6-7,10H2,1H3,(H2,20,21,22)/t13-/m0/s1
InChIKeyCZPZLAPPMHFHNO-ZDUSSCGKSA-N
MW390.44 g/mol
LogP2.82
Rot. Bonds5

About 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide

3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide (PubChem CID 73331957) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide.

Molecular Properties

Compound Name3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide
PubChem CID73331957
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide
SMILESCc1cc(Nc2n[nH]c3ccc(S(=O)(=O)N[C@H]4CCOC4)cc23)ccc1F
InChIInChI=1S/C18H19FN4O3S/c1-11-8-12(2-4-16(11)19)20-18-15-9-14(3-5-17(15)21-22-18)27(24,25)23-13-6-7-26-10-13/h2-5,8-9,13,23H,6-7,10H2,1H3,(H2,20,21,22)/t13-/m0/s1
InChIKeyCZPZLAPPMHFHNO-ZDUSSCGKSA-N
XLogP2.82
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide?
The IUPAC name of 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide (CID 73331957) is 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide.
What is the SMILES notation for 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide?
The canonical SMILES for 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide is Cc1cc(Nc2n[nH]c3ccc(S(=O)(=O)N[C@H]4CCOC4)cc23)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide?
The InChIKey is CZPZLAPPMHFHNO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-11-8-12(2-4-16(11)19)20-18-15-9-14(3-5-17(15)21-22-18)27(24,25)23-13-6-7-26-10-13/h2-5,8-9,13,23H,6-7,10H2,1H3,(H2,20,21,22)/t13-/m0/s1.
What are the key properties of 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide?
3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide has a molecular weight of 390.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]-1H-indazole-5-sulfonamide is sourced from PubChem (CID 73331957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).