N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide

C43H44Cl2N8O8S3 — CID 157284556

IUPACN-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(N)n2)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(NS(C)(=O)=O)n2)cc1
InChIInChI=1S/C22H23ClN4O5S2.C21H21ClN4O3S/c1-22(2,3)14-8-10-16(11-9-14)34(31,32)26-18-12-15(23)13-24-20(18)21(28)17-6-5-7-19(25-17)27-33(4,29)30;1-21(2,3)13-7-9-15(10-8-13)30(28,29)26-17-11-14(22)12-24-19(17)20(27)16-5-4-6-18(23)25-16/h5-13,26H,1-4H3,(H,25,27);4-12,26H,1-3H3,(H2,23,25)
InChIKeyBABKMRFWVKNXHP-UHFFFAOYSA-N
MW967.98 g/mol
LogP7.87
Rot. Bonds12

About N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide

N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide (PubChem CID 157284556) has the molecular formula C43H44Cl2N8O8S3 and a molecular weight of 967.98 g/mol. Its IUPAC name is N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide
PubChem CID157284556
Molecular FormulaC43H44Cl2N8O8S3
Molecular Weight967.98 g/mol
Exact Mass966.18
IUPAC NameN-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(N)n2)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(NS(C)(=O)=O)n2)cc1
InChIInChI=1S/C22H23ClN4O5S2.C21H21ClN4O3S/c1-22(2,3)14-8-10-16(11-9-14)34(31,32)26-18-12-15(23)13-24-20(18)21(28)17-6-5-7-19(25-17)27-33(4,29)30;1-21(2,3)13-7-9-15(10-8-13)30(28,29)26-17-11-14(22)12-24-19(17)20(27)16-5-4-6-18(23)25-16/h5-13,26H,1-4H3,(H,25,27);4-12,26H,1-3H3,(H2,23,25)
InChIKeyBABKMRFWVKNXHP-UHFFFAOYSA-N
XLogP7.87
TPSA250.23 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500967.98
LogP ≤ 57.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

5-[5-amino-6-(pyridine-3-carbonyl)pyrazin-2-yl]-2-chloro-N-phenylbenzenesulfonamide
CID 44219291
4-chloro-N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 57942097
N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 57942133
N-[2-(2-amino-pyridine-4-carbonyl)-5-chloro-pyridin-3-yl]-4-methyl-3-trifluoromethyl-benzenesulfonamide
CID 57942159
4-chloro-N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 57942164
n-[2-(2-Amino-pyridine-4-carbonyl)-5-chloro-pyridin-3-yl]-n-methoxymethyl-4-methyl-3-trifluoromethyl-benzenesulfonamide
CID 57942452
n-[5-Chloro-2-(2-methanesulfonylamino-pyridine-4-carbonyl)-pyridin-3-yl]-4-methyl-3-trifluoromethyl-benzenesulfonamide
CID 57942459
N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-3-(fluoromethyl)-N-(methoxymethyl)-4-methylbenzenesulfonamide
CID 70952673
N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-(iodomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 89383212
N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143610409
N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfinamide
CID 143610521
4-chloro-N-[5-chloro-2-(7H-cyclopenta[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;methane
CID 157329571

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide (CID 157284556) is N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(N)n2)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(NS(C)(=O)=O)n2)cc1.
What is the InChIKey of N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is BABKMRFWVKNXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O5S2.C21H21ClN4O3S/c1-22(2,3)14-8-10-16(11-9-14)34(31,32)26-18-12-15(23)13-24-20(18)21(28)17-6-5-7-19(25-17)27-33(4,29)30;1-21(2,3)13-7-9-15(10-8-13)30(28,29)26-17-11-14(22)12-24-19(17)20(27)16-5-4-6-18(23)25-16/h5-13,26H,1-4H3,(H,25,27);4-12,26H,1-3H3,(H2,23,25).
What are the key properties of N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide?
N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 967.98 g/mol, XLogP of 7.87, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-aminopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methanesulfonamido)pyridine-2-carbonyl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 157284556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).