3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide

C46H38Cl4N6O6S2 — CID 159394186

IUPAC3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide
SMILESCC(C)(C)c1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3c2C=CC3)ccc1Cl.CCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3c2C=CC3)ccc1Cl
InChIInChI=1S/C24H21Cl2N3O3S.C22H17Cl2N3O3S/c1-24(2,3)18-12-15(7-8-19(18)26)33(31,32)29-21-11-14(25)13-28-22(21)23(30)17-9-10-27-20-6-4-5-16(17)20;1-2-13-10-15(6-7-18(13)24)31(29,30)27-20-11-14(23)12-26-21(20)22(28)17-8-9-25-19-5-3-4-16(17)19/h4-5,7-13,29H,6H2,1-3H3;3-4,6-12,27H,2,5H2,1H3
InChIKeyLMMSHGYENORHMT-UHFFFAOYSA-N
MW976.79 g/mol
LogP10.63
Rot. Bonds11

About 3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide

3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide (PubChem CID 159394186) has the molecular formula C46H38Cl4N6O6S2 and a molecular weight of 976.79 g/mol. Its IUPAC name is 3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide
PubChem CID159394186
Molecular FormulaC46H38Cl4N6O6S2
Molecular Weight976.79 g/mol
Exact Mass974.10
IUPAC Name3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide
SMILESCC(C)(C)c1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3c2C=CC3)ccc1Cl.CCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3c2C=CC3)ccc1Cl
InChIInChI=1S/C24H21Cl2N3O3S.C22H17Cl2N3O3S/c1-24(2,3)18-12-15(7-8-19(18)26)33(31,32)29-21-11-14(25)13-28-22(21)23(30)17-9-10-27-20-6-4-5-16(17)20;1-2-13-10-15(6-7-18(13)24)31(29,30)27-20-11-14(23)12-26-21(20)22(28)17-8-9-25-19-5-3-4-16(17)19/h4-5,7-13,29H,6H2,1-3H3;3-4,6-12,27H,2,5H2,1H3
InChIKeyLMMSHGYENORHMT-UHFFFAOYSA-N
XLogP10.63
TPSA178.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.79
LogP ≤ 510.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 126755354
4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 167692524
4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 160727479
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
4-chloro-N-[5-chloro-2-(pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11591022
4-chloro-N-[5-chloro-2-(5-chloro-2-pyrazol-1-ylpyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 59224616
2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
CID 143610397
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
5-chloro-3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]sulfonylamino]-N-phenylpyridine-2-carboxamide
CID 143262651
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoic acid;methane;methyl 2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoate
CID 159754215
N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268290
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide?
The IUPAC name of 3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide (CID 159394186) is 3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide.
What is the SMILES notation for 3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide?
The canonical SMILES for 3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide is CC(C)(C)c1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3c2C=CC3)ccc1Cl.CCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3c2C=CC3)ccc1Cl.
What is the InChIKey of 3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide?
The InChIKey is LMMSHGYENORHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O3S.C22H17Cl2N3O3S/c1-24(2,3)18-12-15(7-8-19(18)26)33(31,32)29-21-11-14(25)13-28-22(21)23(30)17-9-10-27-20-6-4-5-16(17)20;1-2-13-10-15(6-7-18(13)24)31(29,30)27-20-11-14(23)12-26-21(20)22(28)17-8-9-25-19-5-3-4-16(17)19/h4-5,7-13,29H,6H2,1-3H3;3-4,6-12,27H,2,5H2,1H3.
What are the key properties of 3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide?
3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide has a molecular weight of 976.79 g/mol, XLogP of 10.63, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide is sourced from PubChem (CID 159394186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).