3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane

C18H21FN4O3S2 — CID 160695693

IUPAC3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane
SMILESCc1cc(Nc2ncc3ccc(S(=O)(=O)N[C@H]4CCOC4)cn23)ccc1F.S
InChIInChI=1S/C18H19FN4O3S.H2S/c1-12-8-13(2-5-17(12)19)21-18-20-9-15-3-4-16(10-23(15)18)27(24,25)22-14-6-7-26-11-14;/h2-5,8-10,14,22H,6-7,11H2,1H3,(H,20,21);1H2/t14-;/m0./s1
InChIKeyRPYUVTFAYYVRKS-UQKRIMTDSA-N
MW424.52 g/mol
LogP2.71
Rot. Bonds5

About 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane

3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane (PubChem CID 160695693) has the molecular formula C18H21FN4O3S2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane.

Molecular Properties

Compound Name3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane
PubChem CID160695693
Molecular FormulaC18H21FN4O3S2
Molecular Weight424.52 g/mol
Exact Mass424.10
IUPAC Name3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane
SMILESCc1cc(Nc2ncc3ccc(S(=O)(=O)N[C@H]4CCOC4)cn23)ccc1F.S
InChIInChI=1S/C18H19FN4O3S.H2S/c1-12-8-13(2-5-17(12)19)21-18-20-9-15-3-4-16(10-23(15)18)27(24,25)22-14-6-7-26-11-14;/h2-5,8-10,14,22H,6-7,11H2,1H3,(H,20,21);1H2/t14-;/m0./s1
InChIKeyRPYUVTFAYYVRKS-UQKRIMTDSA-N
XLogP2.71
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane?
The IUPAC name of 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane (CID 160695693) is 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane.
What is the SMILES notation for 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane?
The canonical SMILES for 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane is Cc1cc(Nc2ncc3ccc(S(=O)(=O)N[C@H]4CCOC4)cn23)ccc1F.S.
What is the InChIKey of 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane?
The InChIKey is RPYUVTFAYYVRKS-UQKRIMTDSA-N. The full InChI is InChI=1S/C18H19FN4O3S.H2S/c1-12-8-13(2-5-17(12)19)21-18-20-9-15-3-4-16(10-23(15)18)27(24,25)22-14-6-7-26-11-14;/h2-5,8-10,14,22H,6-7,11H2,1H3,(H,20,21);1H2/t14-;/m0./s1.
What are the key properties of 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane?
3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane has a molecular weight of 424.52 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylanilino)-N-[(3S)-oxolan-3-yl]imidazo[1,5-a]pyridine-6-sulfonamide;sulfane is sourced from PubChem (CID 160695693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).