N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide

C24H18Cl2N2O5S2 — CID 43885647

IUPACN-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H18Cl2N2O5S2/c25-22-7-4-8-23(24(22)26)28-35(31,32)20-13-9-17(10-14-20)27-34(29,30)21-15-11-19(12-16-21)33-18-5-2-1-3-6-18/h1-16,27-28H
InChIKeyRSFBNVAOLWYTGL-UHFFFAOYSA-N
MW549.46 g/mol
LogP6.39
Rot. Bonds8

About N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide

N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide (PubChem CID 43885647) has the molecular formula C24H18Cl2N2O5S2 and a molecular weight of 549.46 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
PubChem CID43885647
Molecular FormulaC24H18Cl2N2O5S2
Molecular Weight549.46 g/mol
Exact Mass548.00
IUPAC NameN-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H18Cl2N2O5S2/c25-22-7-4-8-23(24(22)26)28-35(31,32)20-13-9-17(10-14-20)27-34(29,30)21-15-11-19(12-16-21)33-18-5-2-1-3-6-18/h1-16,27-28H
InChIKeyRSFBNVAOLWYTGL-UHFFFAOYSA-N
XLogP6.39
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.46
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
CID 126387209
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
2-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 113098760
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 25048378
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 1319427
5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126132426
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 126181507
N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 3539405
methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 126120452
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide (CID 43885647) is N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is RSFBNVAOLWYTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O5S2/c25-22-7-4-8-23(24(22)26)28-35(31,32)20-13-9-17(10-14-20)27-34(29,30)21-15-11-19(12-16-21)33-18-5-2-1-3-6-18/h1-16,27-28H.
What are the key properties of N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide?
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 549.46 g/mol, XLogP of 6.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 43885647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).