(3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride

C44H37Cl5N8O6S2 — CID 158278119

IUPAC(3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride
SMILESCC(C)c1cc(S(=O)(=O)Cl)ccc1Cl.CC(C)c1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)ccc1Cl.Nc1cc(Cl)cnc1C(=O)c1ccnc2[nH]ccc12
InChIInChI=1S/C22H18Cl2N4O3S.C13H9ClN4O.C9H10Cl2O2S/c1-12(2)17-10-14(3-4-18(17)24)32(30,31)28-19-9-13(23)11-27-20(19)21(29)15-5-7-25-22-16(15)6-8-26-22;14-7-5-10(15)11(18-6-7)12(19)8-1-3-16-13-9(8)2-4-17-13;1-6(2)8-5-7(14(11,12)13)3-4-9(8)10/h3-12,28H,1-2H3,(H,25,26);1-6H,15H2,(H,16,17);3-6H,1-2H3
InChIKeyGJWGJRXKENXVPW-UHFFFAOYSA-N
MW1015.23 g/mol
LogP11.24
Rot. Bonds10

About (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride

(3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride (PubChem CID 158278119) has the molecular formula C44H37Cl5N8O6S2 and a molecular weight of 1015.23 g/mol. Its IUPAC name is (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name(3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride
PubChem CID158278119
Molecular FormulaC44H37Cl5N8O6S2
Molecular Weight1015.23 g/mol
Exact Mass1012.07
IUPAC Name(3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride
SMILESCC(C)c1cc(S(=O)(=O)Cl)ccc1Cl.CC(C)c1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)ccc1Cl.Nc1cc(Cl)cnc1C(=O)c1ccnc2[nH]ccc12
InChIInChI=1S/C22H18Cl2N4O3S.C13H9ClN4O.C9H10Cl2O2S/c1-12(2)17-10-14(3-4-18(17)24)32(30,31)28-19-9-13(23)11-27-20(19)21(29)15-5-7-25-22-16(15)6-8-26-22;14-7-5-10(15)11(18-6-7)12(19)8-1-3-16-13-9(8)2-4-17-13;1-6(2)8-5-7(14(11,12)13)3-4-9(8)10/h3-12,28H,1-2H3,(H,25,26);1-6H,15H2,(H,16,17);3-6H,1-2H3
InChIKeyGJWGJRXKENXVPW-UHFFFAOYSA-N
XLogP11.24
TPSA223.61 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001015.23
LogP ≤ 511.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride with MolForge

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Related Compounds

Ilacirnon
CID 25134303
Ilacirnon Sodium
CID 137552094
4-Chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 25171235
4-Chloro-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 25171028
4-Chloro-N-[5-chloro-2-(7-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 25171029
4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 25171233
4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 25171234
N-[5-chloro-2-(6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)pyridin-3-yl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 44176499
4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)pyridin-3-yl]-3-(1,1-difluoroethyl)benzenesulfonamide
CID 44176500
3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)pyridin-3-yl]benzenesulfonamide
CID 44176722
N-[5-Chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-pyridin-3-yl]-3-fluoro-4-methyl-benzenesulfonamide
CID 44176725
N-[5-Chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-pyridin-3-yl]-4-cyano-3-trifluoromethyl-benzenesulfonamide
CID 44176727

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride?
The IUPAC name of (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride (CID 158278119) is (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride.
What is the SMILES notation for (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride?
The canonical SMILES for (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride is CC(C)c1cc(S(=O)(=O)Cl)ccc1Cl.CC(C)c1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)ccc1Cl.Nc1cc(Cl)cnc1C(=O)c1ccnc2[nH]ccc12.
What is the InChIKey of (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride?
The InChIKey is GJWGJRXKENXVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O3S.C13H9ClN4O.C9H10Cl2O2S/c1-12(2)17-10-14(3-4-18(17)24)32(30,31)28-19-9-13(23)11-27-20(19)21(29)15-5-7-25-22-16(15)6-8-26-22;14-7-5-10(15)11(18-6-7)12(19)8-1-3-16-13-9(8)2-4-17-13;1-6(2)8-5-7(14(11,12)13)3-4-9(8)10/h3-12,28H,1-2H3,(H,25,26);1-6H,15H2,(H,16,17);3-6H,1-2H3.
What are the key properties of (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride?
(3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride has a molecular weight of 1015.23 g/mol, XLogP of 11.24, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-3-propan-2-ylbenzenesulfonyl chloride is sourced from PubChem (CID 158278119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).