5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine

C20H17ClN4O2S — CID 146161830

IUPAC5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine
SMILESCc1ccc(S(=O)(=O)n2cc(Cc3ccc(N)nc3)c3cc(Cl)cnc32)cc1
InChIInChI=1S/C20H17ClN4O2S/c1-13-2-5-17(6-3-13)28(26,27)25-12-15(8-14-4-7-19(22)23-10-14)18-9-16(21)11-24-20(18)25/h2-7,9-12H,8H2,1H3,(H2,22,23)
InChIKeyYPHWLBGAVLXJNI-UHFFFAOYSA-N
MW412.90 g/mol
LogP3.80
Rot. Bonds4

About 5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine

5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine (PubChem CID 146161830) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is 5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine
PubChem CID146161830
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC Name5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine
SMILESCc1ccc(S(=O)(=O)n2cc(Cc3ccc(N)nc3)c3cc(Cl)cnc32)cc1
InChIInChI=1S/C20H17ClN4O2S/c1-13-2-5-17(6-3-13)28(26,27)25-12-15(8-14-4-7-19(22)23-10-14)18-9-16(21)11-24-20(18)25/h2-7,9-12H,8H2,1H3,(H2,22,23)
InChIKeyYPHWLBGAVLXJNI-UHFFFAOYSA-N
XLogP3.80
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
Arylsulfonylpiperazine, 25
CID 44237028
N-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
3-[[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 70648685
N-[2-chloro-5-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461671
Benzenesulfonamide, N-[2-chloro-5-[3-(4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-4-fluoro-
CID 145977475
4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
CID 134812697
N-[2-chloro-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide
CID 145966764
N-[2-chloro-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 145973569
4-[5-Bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
CID 44527045
N-(2-(dimethylamino)ethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 23648887
N-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 23648890

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine (CID 146161830) is 5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine is Cc1ccc(S(=O)(=O)n2cc(Cc3ccc(N)nc3)c3cc(Cl)cnc32)cc1.
What is the InChIKey of 5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine?
The InChIKey is YPHWLBGAVLXJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c1-13-2-5-17(6-3-13)28(26,27)25-12-15(8-14-4-7-19(22)23-10-14)18-9-16(21)11-24-20(18)25/h2-7,9-12H,8H2,1H3,(H2,22,23).
What are the key properties of 5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine?
5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine has a molecular weight of 412.90 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 146161830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).