N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide

C22H16Cl2N2O4S2 — CID 126387209

IUPACN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H16Cl2N2O4S2/c23-20-6-3-7-21(22(20)24)26-31(27,28)18-12-9-17(10-13-18)25-32(29,30)19-11-8-15-4-1-2-5-16(15)14-19/h1-14,25-26H
InChIKeyVZXDQMNWDNKCIE-UHFFFAOYSA-N
MW507.42 g/mol
LogP5.75
Rot. Bonds6

About N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide (PubChem CID 126387209) has the molecular formula C22H16Cl2N2O4S2 and a molecular weight of 507.42 g/mol. Its IUPAC name is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
PubChem CID126387209
Molecular FormulaC22H16Cl2N2O4S2
Molecular Weight507.42 g/mol
Exact Mass505.99
IUPAC NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H16Cl2N2O4S2/c23-20-6-3-7-21(22(20)24)26-31(27,28)18-12-9-17(10-13-18)25-32(29,30)19-11-8-15-4-1-2-5-16(15)14-19/h1-14,25-26H
InChIKeyVZXDQMNWDNKCIE-UHFFFAOYSA-N
XLogP5.75
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.42
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 1319427
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126132426
N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 3457821
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide (CID 126387209) is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide?
The InChIKey is VZXDQMNWDNKCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O4S2/c23-20-6-3-7-21(22(20)24)26-31(27,28)18-12-9-17(10-13-18)25-32(29,30)19-11-8-15-4-1-2-5-16(15)14-19/h1-14,25-26H.
What are the key properties of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide?
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide has a molecular weight of 507.42 g/mol, XLogP of 5.75, 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]naphthalene-2-sulfonamide is sourced from PubChem (CID 126387209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).