1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide

C22H16Cl2N2O4S2 — CID 1108255

IUPAC1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1cccc2c(S(=O)(=O)Nc3cccc(Cl)c3)cccc12
InChIInChI=1S/C22H16Cl2N2O4S2/c23-15-5-1-7-17(13-15)25-31(27,28)21-11-3-10-20-19(21)9-4-12-22(20)32(29,30)26-18-8-2-6-16(24)14-18/h1-14,25-26H
InChIKeyWXINIJLSBGLRFY-UHFFFAOYSA-N
MW507.42 g/mol
LogP5.75
Rot. Bonds6

About 1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide

1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide (PubChem CID 1108255) has the molecular formula C22H16Cl2N2O4S2 and a molecular weight of 507.42 g/mol. Its IUPAC name is 1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide.

Molecular Properties

Compound Name1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide
PubChem CID1108255
Molecular FormulaC22H16Cl2N2O4S2
Molecular Weight507.42 g/mol
Exact Mass505.99
IUPAC Name1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1cccc2c(S(=O)(=O)Nc3cccc(Cl)c3)cccc12
InChIInChI=1S/C22H16Cl2N2O4S2/c23-15-5-1-7-17(13-15)25-31(27,28)21-11-3-10-20-19(21)9-4-12-22(20)32(29,30)26-18-8-2-6-16(24)14-18/h1-14,25-26H
InChIKeyWXINIJLSBGLRFY-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

4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 1103353
N,N'-1,4-phenylenedi(1-naphthalenesulfonamide)
CID 2946861
N,N'-1,3-Phenylenebis[1-naphthalenesulfonamide]
CID 53348032
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-1-sulfonamide;hydrochloride
CID 57391623
4-Chloro-N-(1-naphthyl)benzenesulfonamide
CID 310131
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
CID 1265824
2,4-Dichlorobenzene-1-diazonium naphthalene-1,5-disulfonate--water (2/1/1)
CID 56844299
N(2),N(7)-Bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide
CID 988103
4-Chloro-n2,n7-diphenylnaphthalene-2,7-disulfonamide
CID 314043
N-(3-chlorophenyl)naphthalene-2-sulfonamide
CID 849009
N-phenylnaphthalene-1-sulfonamide
CID 3816137
N-(5-chloro-2-fluorophenyl)naphthalene-2-sulfonamide
CID 8499054

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide?
The IUPAC name of 1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide (CID 1108255) is 1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide.
What is the SMILES notation for 1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide?
The canonical SMILES for 1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide is O=S(=O)(Nc1cccc(Cl)c1)c1cccc2c(S(=O)(=O)Nc3cccc(Cl)c3)cccc12.
What is the InChIKey of 1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide?
The InChIKey is WXINIJLSBGLRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O4S2/c23-15-5-1-7-17(13-15)25-31(27,28)21-11-3-10-20-19(21)9-4-12-22(20)32(29,30)26-18-8-2-6-16(24)14-18/h1-14,25-26H.
What are the key properties of 1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide?
1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide 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 1-N,5-N-bis(3-chlorophenyl)naphthalene-1,5-disulfonamide is sourced from PubChem (CID 1108255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).