4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene

C42H29Cl5F6N10O11S2 — CID 157079398

IUPAC4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene
SMILESCOCN(c1cc(C)cnc1C(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.[H]/N=N/N=NCl
InChIInChI=1S/C22H16Cl2F3N3O6S.C20H12Cl2F3N3O5S.ClHN4/c1-12-7-19(20(28-10-12)21(31)15-8-13(30(32)33)3-5-17(15)23)29(11-36-2)37(34,35)14-4-6-18(24)16(9-14)22(25,26)27;1-10-6-17(27-34(32,33)12-3-5-16(22)14(8-12)20(23,24)25)18(26-9-10)19(29)13-7-11(28(30)31)2-4-15(13)21;1-3-5-4-2/h3-10H,11H2,1-2H3;2-9,27H,1H3;2H/b;;4-2+,5-3?
InChIKeyADIUALWXXIBEDW-UIHFZIRRSA-N
MW1205.14 g/mol
LogP12.85
Rot. Bonds15

About 4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene

4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene (PubChem CID 157079398) has the molecular formula C42H29Cl5F6N10O11S2 and a molecular weight of 1205.14 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene.

Molecular Properties

Compound Name4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene
PubChem CID157079398
Molecular FormulaC42H29Cl5F6N10O11S2
Molecular Weight1205.14 g/mol
Exact Mass1201.98
IUPAC Name4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene
SMILESCOCN(c1cc(C)cnc1C(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.[H]/N=N/N=NCl
InChIInChI=1S/C22H16Cl2F3N3O6S.C20H12Cl2F3N3O5S.ClHN4/c1-12-7-19(20(28-10-12)21(31)15-8-13(30(32)33)3-5-17(15)23)29(11-36-2)37(34,35)14-4-6-18(24)16(9-14)22(25,26)27;1-10-6-17(27-34(32,33)12-3-5-16(22)14(8-12)20(23,24)25)18(26-9-10)19(29)13-7-11(28(30)31)2-4-15(13)21;1-3-5-4-2/h3-10H,11H2,1-2H3;2-9,27H,1H3;2H/b;;4-2+,5-3?
InChIKeyADIUALWXXIBEDW-UIHFZIRRSA-N
XLogP12.85
TPSA299.91 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001205.14
LogP ≤ 512.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene with MolForge

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Related Compounds

4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159989205
4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159735316
4-chloro-N-[5-chloro-2-(2-methoxypyridine-3-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methoxypyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 157156180
4-chloro-N-(methoxymethyl)-N-[5-methyl-2-(3-nitrophenoxy)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 167495725
4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 161316890
4-chloro-N-[5-chloro-2-[hydroxy-(2-nitrophenyl)methyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-nitrobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 159914770
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide
CID 159996947
4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 126755354
N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 158300652
4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 126760895
4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 159688841
4-chloro-N-(methoxymethyl)-N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 126760993

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene?
The IUPAC name of 4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene (CID 157079398) is 4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene.
What is the SMILES notation for 4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene?
The canonical SMILES for 4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene is COCN(c1cc(C)cnc1C(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.[H]/N=N/N=NCl.
What is the InChIKey of 4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene?
The InChIKey is ADIUALWXXIBEDW-UIHFZIRRSA-N. The full InChI is InChI=1S/C22H16Cl2F3N3O6S.C20H12Cl2F3N3O5S.ClHN4/c1-12-7-19(20(28-10-12)21(31)15-8-13(30(32)33)3-5-17(15)23)29(11-36-2)37(34,35)14-4-6-18(24)16(9-14)22(25,26)27;1-10-6-17(27-34(32,33)12-3-5-16(22)14(8-12)20(23,24)25)18(26-9-10)19(29)13-7-11(28(30)31)2-4-15(13)21;1-3-5-4-2/h3-10H,11H2,1-2H3;2-9,27H,1H3;2H/b;;4-2+,5-3?.
What are the key properties of 4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene?
4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene has a molecular weight of 1205.14 g/mol, XLogP of 12.85, 15 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chloro-5-nitrobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;chloro(diazenyl)diazene is sourced from PubChem (CID 157079398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).