N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide

C21H20Cl2N2O4S2 — CID 1319427

IUPACN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c(C)c1
InChIInChI=1S/C21H20Cl2N2O4S2/c1-13-11-14(2)21(15(3)12-13)31(28,29)24-16-7-9-17(10-8-16)30(26,27)25-19-6-4-5-18(22)20(19)23/h4-12,24-25H,1-3H3
InChIKeySVBKDJNOBIQLPF-UHFFFAOYSA-N
MW499.44 g/mol
LogP5.52
Rot. Bonds6

About N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 1319427) has the molecular formula C21H20Cl2N2O4S2 and a molecular weight of 499.44 g/mol. Its IUPAC name is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID1319427
Molecular FormulaC21H20Cl2N2O4S2
Molecular Weight499.44 g/mol
Exact Mass498.02
IUPAC NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c(C)c1
InChIInChI=1S/C21H20Cl2N2O4S2/c1-13-11-14(2)21(15(3)12-13)31(28,29)24-16-7-9-17(10-8-16)30(26,27)25-19-6-4-5-18(22)20(19)23/h4-12,24-25H,1-3H3
InChIKeySVBKDJNOBIQLPF-UHFFFAOYSA-N
XLogP5.52
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.44
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide with MolForge

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Related Compounds

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
CID 126387209
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 126128473
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574
2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
CID 92646116
5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126132426
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methyl-4-nitrobenzenesulfonamide
CID 175722759
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 3322444
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 2226252

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide (CID 1319427) is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c(C)c1.
What is the InChIKey of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is SVBKDJNOBIQLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O4S2/c1-13-11-14(2)21(15(3)12-13)31(28,29)24-16-7-9-17(10-8-16)30(26,27)25-19-6-4-5-18(22)20(19)23/h4-12,24-25H,1-3H3.
What are the key properties of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide?
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 499.44 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 1319427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).