3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide

C20H15Cl3N2O4S — CID 171347765

IUPAC3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccccc2NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)c1
InChIInChI=1S/C20H15Cl3N2O4S/c1-29-13-5-4-6-14(11-13)30(27,28)25-18-8-3-2-7-17(18)24-20(26)12-9-15(21)19(23)16(22)10-12/h2-11,25H,1H3,(H,24,26)
InChIKeyULQIOQFTOCFGJX-UHFFFAOYSA-N
MW485.78 g/mol
LogP5.71
Rot. Bonds6

About 3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide

3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide (PubChem CID 171347765) has the molecular formula C20H15Cl3N2O4S and a molecular weight of 485.78 g/mol. Its IUPAC name is 3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide
PubChem CID171347765
Molecular FormulaC20H15Cl3N2O4S
Molecular Weight485.78 g/mol
Exact Mass483.98
IUPAC Name3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccccc2NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)c1
InChIInChI=1S/C20H15Cl3N2O4S/c1-29-13-5-4-6-14(11-13)30(27,28)25-18-8-3-2-7-17(18)24-20(26)12-9-15(21)19(23)16(22)10-12/h2-11,25H,1H3,(H,24,26)
InChIKeyULQIOQFTOCFGJX-UHFFFAOYSA-N
XLogP5.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.78
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 45369226
N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
CID 81260297
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
4-hydroxy-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294835
N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 69347102
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide
CID 92672200
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of 3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide (CID 171347765) is 3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for 3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for 3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide is COc1cccc(S(=O)(=O)Nc2ccccc2NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is ULQIOQFTOCFGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2O4S/c1-29-13-5-4-6-14(11-13)30(27,28)25-18-8-3-2-7-17(18)24-20(26)12-9-15(21)19(23)16(22)10-12/h2-11,25H,1H3,(H,24,26).
What are the key properties of 3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide?
3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 485.78 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 171347765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).