N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide

C35H42Cl2N2O6S2 — CID 54074003

IUPACN-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2C)c1C.Cc1cc(C)c(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2C)c(C)c1
InChIInChI=1S/C18H22ClNO3S.C17H20ClNO3S/c1-9-7-10(2)13(5)18(12(9)4)24(22,23)20-15-8-11(3)17(21)16(19)14(15)6;1-9-6-11(3)17(12(4)7-9)23(21,22)19-14-8-10(2)16(20)15(18)13(14)5/h7-8,20-21H,1-6H3;6-8,19-20H,1-5H3
InChIKeyMIKUQGORYDICDN-UHFFFAOYSA-N
MW721.77 g/mol
LogP9.09
Rot. Bonds6

About N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide

N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 54074003) has the molecular formula C35H42Cl2N2O6S2 and a molecular weight of 721.77 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID54074003
Molecular FormulaC35H42Cl2N2O6S2
Molecular Weight721.77 g/mol
Exact Mass720.19
IUPAC NameN-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2C)c1C.Cc1cc(C)c(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2C)c(C)c1
InChIInChI=1S/C18H22ClNO3S.C17H20ClNO3S/c1-9-7-10(2)13(5)18(12(9)4)24(22,23)20-15-8-11(3)17(21)16(19)14(15)6;1-9-6-11(3)17(12(4)7-9)23(21,22)19-14-8-10(2)16(20)15(18)13(14)5/h7-8,20-21H,1-6H3;6-8,19-20H,1-5H3
InChIKeyMIKUQGORYDICDN-UHFFFAOYSA-N
XLogP9.09
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.77
LogP ≤ 59.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide with MolForge

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Related Compounds

[2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate
CID 20665663
1,3-bis[2-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]urea
CID 170548860
N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 16644666
N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 136873469
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201415
2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 39846063
N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 104821325
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 1319427
N-[3-bromo-4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]-2,4,6-trimethylbenzenesulfonamide
CID 5241230
N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22202209
N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 24663110

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide (CID 54074003) is N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2C)c1C.Cc1cc(C)c(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2C)c(C)c1.
What is the InChIKey of N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is MIKUQGORYDICDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3S.C17H20ClNO3S/c1-9-7-10(2)13(5)18(12(9)4)24(22,23)20-15-8-11(3)17(21)16(19)14(15)6;1-9-6-11(3)17(12(4)7-9)23(21,22)19-14-8-10(2)16(20)15(18)13(14)5/h7-8,20-21H,1-6H3;6-8,19-20H,1-5H3.
What are the key properties of N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide?
N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 721.77 g/mol, XLogP of 9.09, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 54074003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).