N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide

C30H22N2O4S2 — CID 3407912

IUPACN-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(NS(=O)(=O)c3ccc4ccccc4c3)cccc12)c1ccc2ccccc2c1
InChIInChI=1S/C30H22N2O4S2/c33-37(34,25-17-15-21-7-1-3-9-23(21)19-25)31-29-13-5-12-28-27(29)11-6-14-30(28)32-38(35,36)26-18-16-22-8-2-4-10-24(22)20-26/h1-20,31-32H
InChIKeyVWNBASWBNRRKPW-UHFFFAOYSA-N
MW538.65 g/mol
LogP6.75
Rot. Bonds6

About N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide

N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide (PubChem CID 3407912) has the molecular formula C30H22N2O4S2 and a molecular weight of 538.65 g/mol. Its IUPAC name is N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
PubChem CID3407912
Molecular FormulaC30H22N2O4S2
Molecular Weight538.65 g/mol
Exact Mass538.10
IUPAC NameN-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(NS(=O)(=O)c3ccc4ccccc4c3)cccc12)c1ccc2ccccc2c1
InChIInChI=1S/C30H22N2O4S2/c33-37(34,25-17-15-21-7-1-3-9-23(21)19-25)31-29-13-5-12-28-27(29)11-6-14-30(28)32-38(35,36)26-18-16-22-8-2-4-10-24(22)20-26/h1-20,31-32H
InChIKeyVWNBASWBNRRKPW-UHFFFAOYSA-N
XLogP6.75
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 2945239
N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 3457821
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-(3-fluoro-2-hydroxyphenyl)naphthalene-2-sulfonamide
CID 150166464
N-(2-nitrophenyl)naphthalene-2-sulfonamide
CID 19203612
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
CID 30285558
N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide
CID 5025961
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
CID 126387209
N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide
CID 58565599
N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide
CID 9464601

Frequently Asked Questions

What is the IUPAC name of N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide (CID 3407912) is N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide is O=S(=O)(Nc1cccc2c(NS(=O)(=O)c3ccc4ccccc4c3)cccc12)c1ccc2ccccc2c1.
What is the InChIKey of N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide?
The InChIKey is VWNBASWBNRRKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O4S2/c33-37(34,25-17-15-21-7-1-3-9-23(21)19-25)31-29-13-5-12-28-27(29)11-6-14-30(28)32-38(35,36)26-18-16-22-8-2-4-10-24(22)20-26/h1-20,31-32H.
What are the key properties of N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide?
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide has a molecular weight of 538.65 g/mol, XLogP of 6.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 3407912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).