6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide

C23H23ClN4O5S — CID 171549107

IUPAC6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
SMILESCc1cc([C@@H](C)Oc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3cnn(C)c3C)c(C)c(=O)c2c1
InChIInChI=1S/C23H23ClN4O5S/c1-11-8-15(14(4)32-18-6-7-19(24)27-23(18)34(25,30)31)22-16(9-11)20(29)12(2)21(33-22)17-10-26-28(5)13(17)3/h6-10,14H,1-5H3,(H2,25,30,31)/t14-/m1/s1
InChIKeyCLEITFBHCISZRM-CQSZACIVSA-N
MW502.98 g/mol
LogP3.95
Rot. Bonds5

About 6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide

6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide (PubChem CID 171549107) has the molecular formula C23H23ClN4O5S and a molecular weight of 502.98 g/mol. Its IUPAC name is 6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
PubChem CID171549107
Molecular FormulaC23H23ClN4O5S
Molecular Weight502.98 g/mol
Exact Mass502.11
IUPAC Name6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
SMILESCc1cc([C@@H](C)Oc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3cnn(C)c3C)c(C)c(=O)c2c1
InChIInChI=1S/C23H23ClN4O5S/c1-11-8-15(14(4)32-18-6-7-19(24)27-23(18)34(25,30)31)22-16(9-11)20(29)12(2)21(33-22)17-10-26-28(5)13(17)3/h6-10,14H,1-5H3,(H2,25,30,31)/t14-/m1/s1
InChIKeyCLEITFBHCISZRM-CQSZACIVSA-N
XLogP3.95
TPSA130.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.98
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide?
The IUPAC name of 6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide (CID 171549107) is 6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide.
What is the SMILES notation for 6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide?
The canonical SMILES for 6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide is Cc1cc([C@@H](C)Oc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3cnn(C)c3C)c(C)c(=O)c2c1.
What is the InChIKey of 6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide?
The InChIKey is CLEITFBHCISZRM-CQSZACIVSA-N. The full InChI is InChI=1S/C23H23ClN4O5S/c1-11-8-15(14(4)32-18-6-7-19(24)27-23(18)34(25,30)31)22-16(9-11)20(29)12(2)21(33-22)17-10-26-28(5)13(17)3/h6-10,14H,1-5H3,(H2,25,30,31)/t14-/m1/s1.
What are the key properties of 6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide?
6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide has a molecular weight of 502.98 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide is sourced from PubChem (CID 171549107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).