4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide

C46H47Cl2N9O5S2 — CID 157257404

IUPAC4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCCc3cccnc32)cc1.Cn1nc(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2cccnc21
InChIInChI=1S/C24H25ClN4O3S.C22H22ClN5O2S/c1-24(2,3)17-8-10-19(11-9-17)33(31,32)28-20-14-18(25)15-27-21(20)23(30)29-13-5-7-16-6-4-12-26-22(16)29;1-22(2,3)14-7-9-16(10-8-14)31(29,30)27-18-12-15(23)13-25-20(18)19-17-6-5-11-24-21(17)28(4)26-19/h4,6,8-12,14-15,28H,5,7,13H2,1-3H3;5-13,27H,1-4H3
InChIKeyAXAYYGDFIPVDMX-UHFFFAOYSA-N
MW940.98 g/mol
LogP9.60
Rot. Bonds8

About 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide

4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 157257404) has the molecular formula C46H47Cl2N9O5S2 and a molecular weight of 940.98 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID157257404
Molecular FormulaC46H47Cl2N9O5S2
Molecular Weight940.98 g/mol
Exact Mass939.25
IUPAC Name4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCCc3cccnc32)cc1.Cn1nc(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2cccnc21
InChIInChI=1S/C24H25ClN4O3S.C22H22ClN5O2S/c1-24(2,3)17-8-10-19(11-9-17)33(31,32)28-20-14-18(25)15-27-21(20)23(30)29-13-5-7-16-6-4-12-26-22(16)29;1-22(2,3)14-7-9-16(10-8-14)31(29,30)27-18-12-15(23)13-25-20(18)19-17-6-5-11-24-21(17)28(4)26-19/h4,6,8-12,14-15,28H,5,7,13H2,1-3H3;5-13,27H,1-4H3
InChIKeyAXAYYGDFIPVDMX-UHFFFAOYSA-N
XLogP9.60
TPSA182.03 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500940.98
LogP ≤ 59.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-1H-pyrazolo[3,4-b]pyridine
CID 157893395
5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine;methane
CID 160212760
5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine
CID 161163342
N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-5-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 172895794
4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide
CID 126760868
N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(6-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane;piperidine
CID 157187486
4-tert-butyl-N-[5-chloro-2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide
CID 157695277
N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;N-[6-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]acetamide
CID 157798089
N-[(1S)-1-(8-chloro-2-cyclohexyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-6-[3-(cyclopropylsulfamoyl)phenyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-cyclopropyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,5-dimethyl-N-[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158001986
N-[2-(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(hydrazinecarbonyl)-3-pyridinyl]benzenesulfonamide
CID 158115988
N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;[6-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]urea
CID 158210988
N-[4-chloro-2-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(6-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 158997879

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide (CID 157257404) is 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCCc3cccnc32)cc1.Cn1nc(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2cccnc21.
What is the InChIKey of 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is AXAYYGDFIPVDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3S.C22H22ClN5O2S/c1-24(2,3)17-8-10-19(11-9-17)33(31,32)28-20-14-18(25)15-27-21(20)23(30)29-13-5-7-16-6-4-12-26-22(16)29;1-22(2,3)14-7-9-16(10-8-14)31(29,30)27-18-12-15(23)13-25-20(18)19-17-6-5-11-24-21(17)28(4)26-19/h4,6,8-12,14-15,28H,5,7,13H2,1-3H3;5-13,27H,1-4H3.
What are the key properties of 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide?
4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 940.98 g/mol, XLogP of 9.60, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 157257404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).