N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide — IUPAC name, SMILES, InChIKey & properties

Name: N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 158362873) has the molecular formula C58H65BrCl4F6N8O8S2Si2 and a molecular weight of 1458.22 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name	N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID	158362873
Molecular Formula	C58H65BrCl4F6N8O8S2Si2
Molecular Weight	1458.22 g/mol
Exact Mass	1454.17
IUPAC Name	N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILES	CC(C)(C)[Si](C)(C)n1ccc2c(C=O)ccnc21.COCN(c1cc(Cl)c(C)nc1Br)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)c(C)nc1C(O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChI	InChI=1S/C29H33Cl2F3N4O4SSi.C15H12BrCl2F3N2O3S.C14H20N2OSi/c1-17-23(31)15-24(37(16-42-5)43(40,41)18-8-9-22(30)21(14-18)29(32,33)34)25(36-17)26(39)19-10-12-35-27-20(19)11-13-38(27)44(6,7)28(2,3)4;1-8-12(18)6-13(14(16)22-8)23(7-26-2)27(24,25)9-3-4-11(17)10(5-9)15(19,20)21;1-14(2,3)18(4,5)16-9-7-12-11(10-17)6-8-15-13(12)16/h8-15,26,39H,16H2,1-7H3;3-6H,7H2,1-2H3;6-10H,1-5H3
InChIKey	GTRHZMQRRZETBC-UHFFFAOYSA-N
XLogP	16.78
TPSA	191.94 Å²
H-Bond Donors	1
H-Bond Acceptors	14
Rotatable Bonds	15
Heavy Atoms	89
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1458.22
LogP ≤ 5	16.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 158362873) is N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is CC(C)(C)[Si](C)(C)n1ccc2c(C=O)ccnc21.COCN(c1cc(Cl)c(C)nc1Br)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)c(C)nc1C(O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.

What is the InChIKey of N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is GTRHZMQRRZETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33Cl2F3N4O4SSi.C15H12BrCl2F3N2O3S.C14H20N2OSi/c1-17-23(31)15-24(37(16-42-5)43(40,41)18-8-9-22(30)21(14-18)29(32,33)34)25(36-17)26(39)19-10-12-35-27-20(19)11-13-38(27)44(6,7)28(2,3)4;1-8-12(18)6-13(14(16)22-8)23(7-26-2)27(24,25)9-3-4-11(17)10(5-9)15(19,20)21;1-14(2,3)18(4,5)16-9-7-12-11(10-17)6-8-15-13(12)16/h8-15,26,39H,16H2,1-7H3;3-6H,7H2,1-2H3;6-10H,1-5H3.

What are the key properties of N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

Where does this data come from?

All data for N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 158362873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).