4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide

C17H18N4O3S — CID 155808104

IUPAC4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)n2ccc3c(N(C)C)ccnc32)cc1
InChIInChI=1S/C17H18N4O3S/c1-12-4-6-13(7-5-12)25(23,24)19-17(22)21-11-9-14-15(20(2)3)8-10-18-16(14)21/h4-11H,1-3H3,(H,19,22)
InChIKeyJNMIDQOCBGUXNI-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.36
Rot. Bonds3

About 4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide

4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 155808104) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID155808104
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)n2ccc3c(N(C)C)ccnc32)cc1
InChIInChI=1S/C17H18N4O3S/c1-12-4-6-13(7-5-12)25(23,24)19-17(22)21-11-9-14-15(20(2)3)8-10-18-16(14)21/h4-11H,1-3H3,(H,19,22)
InChIKeyJNMIDQOCBGUXNI-UHFFFAOYSA-N
XLogP2.36
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide (CID 155808104) is 4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)n2ccc3c(N(C)C)ccnc32)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is JNMIDQOCBGUXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-12-4-6-13(7-5-12)25(23,24)19-17(22)21-11-9-14-15(20(2)3)8-10-18-16(14)21/h4-11H,1-3H3,(H,19,22).
What are the key properties of 4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide?
4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 155808104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).