N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide

C48H47Cl3N8O7S4 — CID 157377478

IUPACN-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cccc(N(C)S(=O)(=O)c4ccc(C)cc4)n3)cc2s1.CNS(=O)(=O)c1ccc(C)cc1.Cc1ccc(S(=O)(=O)N(C)c2cccc(Cl)n2)cc1.Clc1cccc(Cl)n1
InChIInChI=1S/C22H20N4O3S2.C13H13ClN2O2S.C8H11NO2S.C5H3Cl2N/c1-14-7-10-17(11-8-14)31(28,29)26(3)21-6-4-5-18(24-21)16-9-12-19-20(13-16)30-22(25-19)23-15(2)27;1-10-6-8-11(9-7-10)19(17,18)16(2)13-5-3-4-12(14)15-13;1-7-3-5-8(6-4-7)12(10,11)9-2;6-4-2-1-3-5(7)8-4/h4-13H,1-3H3,(H,23,25,27);3-9H,1-2H3;3-6,9H,1-2H3;1-3H
InChIKeyBKMIDHXNJYBXOC-UHFFFAOYSA-N
MW1082.58 g/mol
LogP10.61
Rot. Bonds10

About N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide

N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 157377478) has the molecular formula C48H47Cl3N8O7S4 and a molecular weight of 1082.58 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID157377478
Molecular FormulaC48H47Cl3N8O7S4
Molecular Weight1082.58 g/mol
Exact Mass1080.15
IUPAC NameN-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cccc(N(C)S(=O)(=O)c4ccc(C)cc4)n3)cc2s1.CNS(=O)(=O)c1ccc(C)cc1.Cc1ccc(S(=O)(=O)N(C)c2cccc(Cl)n2)cc1.Clc1cccc(Cl)n1
InChIInChI=1S/C22H20N4O3S2.C13H13ClN2O2S.C8H11NO2S.C5H3Cl2N/c1-14-7-10-17(11-8-14)31(28,29)26(3)21-6-4-5-18(24-21)16-9-12-19-20(13-16)30-22(25-19)23-15(2)27;1-10-6-8-11(9-7-10)19(17,18)16(2)13-5-3-4-12(14)15-13;1-7-3-5-8(6-4-7)12(10,11)9-2;6-4-2-1-3-5(7)8-4/h4-13H,1-3H3,(H,23,25,27);3-9H,1-2H3;3-6,9H,1-2H3;1-3H
InChIKeyBKMIDHXNJYBXOC-UHFFFAOYSA-N
XLogP10.61
TPSA201.59 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001082.58
LogP ≤ 510.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide with MolForge

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Related Compounds

N-(6-(6-Chloro-5-(4-tert-butylphenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51355172
N-[6-[6-[(2-fluorophenyl)sulfonyl-methylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 57584924
N-[6-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]-N'-[6-[6-chloro-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]butanediamide
CID 91451617
1-(4-chlorobenzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 16804447
N-(6-(6-(N,4-dimethylphenylsulfonamido)pyridin-2-yl)benzo[d]thiazol-2-yl)acetamide
CID 25183328
N-[6-[6-[benzenesulfonyl(methyl)amino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 25183329
N-(6-(6-(N,3-dimethylphenylsulfonamido)pyridin-2-yl)benzo[d]thiazol-2-yl)acetamide
CID 57584999
N-[6-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 57585022
N-[6-[6-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 87267839
N-[6-[2-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 89420511
N-[6-[2-(benzenesulfonamido)-6-chloro-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 89420551
N'-[6-[6-chloro-5-[(5-chlorothiophen-2-yl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]-N-[6-[5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]butanediamide
CID 90964580

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide (CID 157377478) is N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cccc(N(C)S(=O)(=O)c4ccc(C)cc4)n3)cc2s1.CNS(=O)(=O)c1ccc(C)cc1.Cc1ccc(S(=O)(=O)N(C)c2cccc(Cl)n2)cc1.Clc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is BKMIDHXNJYBXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S2.C13H13ClN2O2S.C8H11NO2S.C5H3Cl2N/c1-14-7-10-17(11-8-14)31(28,29)26(3)21-6-4-5-18(24-21)16-9-12-19-20(13-16)30-22(25-19)23-15(2)27;1-10-6-8-11(9-7-10)19(17,18)16(2)13-5-3-4-12(14)15-13;1-7-3-5-8(6-4-7)12(10,11)9-2;6-4-2-1-3-5(7)8-4/h4-13H,1-3H3,(H,23,25,27);3-9H,1-2H3;3-6,9H,1-2H3;1-3H.
What are the key properties of N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 1082.58 g/mol, XLogP of 10.61, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-N,4-dimethylbenzenesulfonamide;2,6-dichloropyridine;N,4-dimethylbenzenesulfonamide;N-[6-[6-[methyl-(4-methylphenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 157377478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).