2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide

C30H32N2O5S2 — CID 25046641

IUPAC2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)cc3)cc2)cc1C
InChIInChI=1S/C30H32N2O5S2/c1-19-15-23(5)29(17-21(19)3)38(33,34)31-25-7-11-27(12-8-25)37-28-13-9-26(10-14-28)32-39(35,36)30-18-22(4)20(2)16-24(30)6/h7-18,31-32H,1-6H3
InChIKeyJMQFCTFUPJPKSE-UHFFFAOYSA-N
MW564.73 g/mol
LogP6.93
Rot. Bonds8

About 2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide

2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide (PubChem CID 25046641) has the molecular formula C30H32N2O5S2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
PubChem CID25046641
Molecular FormulaC30H32N2O5S2
Molecular Weight564.73 g/mol
Exact Mass564.18
IUPAC Name2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)cc3)cc2)cc1C
InChIInChI=1S/C30H32N2O5S2/c1-19-15-23(5)29(17-21(19)3)38(33,34)31-25-7-11-27(12-8-25)37-28-13-9-26(10-14-28)32-39(35,36)30-18-22(4)20(2)16-24(30)6/h7-18,31-32H,1-6H3
InChIKeyJMQFCTFUPJPKSE-UHFFFAOYSA-N
XLogP6.93
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 49370742
2,4,5-trimethyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312715
N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120158
N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146672107
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857
2,4,5-trimethyl-N-[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]benzenesulfonamide
CID 18711097
2,4-difluoro-N-[4-(4-methylphenoxy)phenyl]benzenesulfonamide
CID 2494967
N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758941
N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 53092083
N-methyl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822342

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide (CID 25046641) is 2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)cc3)cc2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide?
The InChIKey is JMQFCTFUPJPKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5S2/c1-19-15-23(5)29(17-21(19)3)38(33,34)31-25-7-11-27(12-8-25)37-28-13-9-26(10-14-28)32-39(35,36)30-18-22(4)20(2)16-24(30)6/h7-18,31-32H,1-6H3.
What are the key properties of 2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide?
2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide has a molecular weight of 564.73 g/mol, XLogP of 6.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 25046641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).