N-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide

C28H24N2O4S2 — CID 155528792

IUPACN-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1cccc(CNS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C28H24N2O4S2/c31-35(32,27-14-12-23-8-1-3-10-25(23)17-27)29-19-21-6-5-7-22(16-21)20-30-36(33,34)28-15-13-24-9-2-4-11-26(24)18-28/h1-18,29-30H,19-20H2
InChIKeyXDXJWAMCSRWLRS-UHFFFAOYSA-N
MW516.64 g/mol
LogP4.95
Rot. Bonds8

About N-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide

N-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide (PubChem CID 155528792) has the molecular formula C28H24N2O4S2 and a molecular weight of 516.64 g/mol. Its IUPAC name is N-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide
PubChem CID155528792
Molecular FormulaC28H24N2O4S2
Molecular Weight516.64 g/mol
Exact Mass516.12
IUPAC NameN-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1cccc(CNS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C28H24N2O4S2/c31-35(32,27-14-12-23-8-1-3-10-25(23)17-27)29-19-21-6-5-7-22(16-21)20-30-36(33,34)28-15-13-24-9-2-4-11-26(24)18-28/h1-18,29-30H,19-20H2
InChIKeyXDXJWAMCSRWLRS-UHFFFAOYSA-N
XLogP4.95
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.64
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-{2-[(Naphthalen-1-ylmethyl)amino]ethyl}benzenesulfonamide
CID 4718107
Naphthalene-2-sulfonic acid (4-{[(1,2,3,4-tetrahydro-naphthalen-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-amide
CID 9806472
Naphthalene-2-sulfonic acid (4-{[(naphthalen-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-amide
CID 10005032
N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)naphthalene-2-sulfonamide
CID 10294248
N-benzylnaphthalene-2-sulfonamide
CID 873831
4-Methyl-N-[3-({[(4-methylphenyl)sulfonyl]amino}methyl)benzyl]benzenesulfonamide
CID 316687
Naphthalene-2-sulfonic acid {6-[(naphthalen-2-ylmethyl)-amino]-hexyl}-amide
CID 44294942
N-(2-(4-(aminomethyl)phenethylamino)ethyl)naphthalene-2-sulfonamide
CID 44411828
4-[2-(Naphthalen-2-ylmethylamino)ethyl]benzenesulfonamide
CID 156015191
N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylbenzenesulfonamide
CID 57467295
N-[(4-sulfamoylphenyl)methyl]naphthalene-2-sulfonamide
CID 3632329
N-[5-(4-aminobutylamino)pentyl]-N-(anthracen-9-ylmethyl)-4-methylbenzenesulfonamide
CID 10929381

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide (CID 155528792) is N-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide is O=S(=O)(NCc1cccc(CNS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide?
The InChIKey is XDXJWAMCSRWLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4S2/c31-35(32,27-14-12-23-8-1-3-10-25(23)17-27)29-19-21-6-5-7-22(16-21)20-30-36(33,34)28-15-13-24-9-2-4-11-26(24)18-28/h1-18,29-30H,19-20H2.
What are the key properties of N-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide?
N-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide has a molecular weight of 516.64 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(naphthalen-2-ylsulfonylamino)methyl]phenyl]methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 155528792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).