6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide

C19H17N5O2S — CID 90115009

IUPAC6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ncnc4[nH]c(C)cc34)cc2)cn1
InChIInChI=1S/C19H17N5O2S/c1-12-3-8-16(10-20-12)27(25,26)24-15-6-4-14(5-7-15)18-17-9-13(2)23-19(17)22-11-21-18/h3-11,24H,1-2H3,(H,21,22,23)
InChIKeyITWKBHPUHRVRJV-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.44
Rot. Bonds4

About 6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide

6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide (PubChem CID 90115009) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide
PubChem CID90115009
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ncnc4[nH]c(C)cc34)cc2)cn1
InChIInChI=1S/C19H17N5O2S/c1-12-3-8-16(10-20-12)27(25,26)24-15-6-4-14(5-7-15)18-17-9-13(2)23-19(17)22-11-21-18/h3-11,24H,1-2H3,(H,21,22,23)
InChIKeyITWKBHPUHRVRJV-UHFFFAOYSA-N
XLogP3.44
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of 6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide (CID 90115009) is 6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3ncnc4[nH]c(C)cc34)cc2)cn1.
What is the InChIKey of 6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide?
The InChIKey is ITWKBHPUHRVRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-12-3-8-16(10-20-12)27(25,26)24-15-6-4-14(5-7-15)18-17-9-13(2)23-19(17)22-11-21-18/h3-11,24H,1-2H3,(H,21,22,23).
What are the key properties of 6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide?
6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide has a molecular weight of 379.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 90115009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).