2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide

C19H14Cl4N2O4S2 — CID 4199762

IUPAC2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H14Cl4N2O4S2/c1-11-2-5-14(24-30(26,27)18-8-12(20)3-6-15(18)22)10-17(11)25-31(28,29)19-9-13(21)4-7-16(19)23/h2-10,24-25H,1H3
InChIKeyJZBNMBMKICWKMU-UHFFFAOYSA-N
MW540.28 g/mol
LogP6.21
Rot. Bonds6

About 2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide

2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide (PubChem CID 4199762) has the molecular formula C19H14Cl4N2O4S2 and a molecular weight of 540.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
PubChem CID4199762
Molecular FormulaC19H14Cl4N2O4S2
Molecular Weight540.28 g/mol
Exact Mass537.91
IUPAC Name2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H14Cl4N2O4S2/c1-11-2-5-14(24-30(26,27)18-8-12(20)3-6-15(18)22)10-17(11)25-31(28,29)19-9-13(21)4-7-16(19)23/h2-10,24-25H,1H3
InChIKeyJZBNMBMKICWKMU-UHFFFAOYSA-N
XLogP6.21
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.28
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303996
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
2,5-dichloro-N-(2-methylquinolin-6-yl)benzenesulfonamide
CID 11280072
2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 10430282
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804
N-[3-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylphenyl]acetamide
CID 47062928
2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714005
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 28528922
5-chloro-N-(3,4-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 7574218

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide (CID 4199762) is 2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide?
The InChIKey is JZBNMBMKICWKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl4N2O4S2/c1-11-2-5-14(24-30(26,27)18-8-12(20)3-6-15(18)22)10-17(11)25-31(28,29)19-9-13(21)4-7-16(19)23/h2-10,24-25H,1H3.
What are the key properties of 2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide?
2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide has a molecular weight of 540.28 g/mol, XLogP of 6.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 4199762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).