3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide

C14H14Cl2N2O4S2 — CID 9241661

IUPAC3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C14H14Cl2N2O4S2/c1-8-5-11(23(17,19)20)7-14(9(8)2)18-24(21,22)10-3-4-12(15)13(16)6-10/h3-7,18H,1-2H3,(H2,17,19,20)
InChIKeyULZQSNJAZRYIIJ-UHFFFAOYSA-N
MW409.32 g/mol
LogP3.06
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide

3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide (PubChem CID 9241661) has the molecular formula C14H14Cl2N2O4S2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
PubChem CID9241661
Molecular FormulaC14H14Cl2N2O4S2
Molecular Weight409.32 g/mol
Exact Mass407.98
IUPAC Name3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C14H14Cl2N2O4S2/c1-8-5-11(23(17,19)20)7-14(9(8)2)18-24(21,22)10-3-4-12(15)13(16)6-10/h3-7,18H,1-2H3,(H2,17,19,20)
InChIKeyULZQSNJAZRYIIJ-UHFFFAOYSA-N
XLogP3.06
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide
CID 9241775
3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
CID 60651633
3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
CID 9241717
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
(E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
CID 9141558
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55894997
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 115330084
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide (CID 9241661) is 3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of 3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide?
The InChIKey is ULZQSNJAZRYIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4S2/c1-8-5-11(23(17,19)20)7-14(9(8)2)18-24(21,22)10-3-4-12(15)13(16)6-10/h3-7,18H,1-2H3,(H2,17,19,20).
What are the key properties of 3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide?
3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide has a molecular weight of 409.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 9241661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).