N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide

C23H20N2O4S2 — CID 518129

IUPACN-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H20N2O4S2/c1-17-16-22(24-30(26,27)18-10-4-2-5-11-18)20-14-8-9-15-21(20)23(17)25-31(28,29)19-12-6-3-7-13-19/h2-16,24-25H,1H3
InChIKeyLBDHRBVJFBGCHO-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.75
Rot. Bonds6

About N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide

N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide (PubChem CID 518129) has the molecular formula C23H20N2O4S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
PubChem CID518129
Molecular FormulaC23H20N2O4S2
Molecular Weight452.56 g/mol
Exact Mass452.09
IUPAC NameN-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H20N2O4S2/c1-17-16-22(24-30(26,27)18-10-4-2-5-11-18)20-14-8-9-15-21(20)23(17)25-31(28,29)19-12-6-3-7-13-19/h2-16,24-25H,1H3
InChIKeyLBDHRBVJFBGCHO-UHFFFAOYSA-N
XLogP4.75
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 3370012
N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
CID 827506
N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
CID 19431161
N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide
CID 21205833
4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]-3-[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]naphthalen-1-yl]benzenesulfonamide
CID 6215666
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide
CID 101388218
N-[3-bromo-4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]-2,4,6-trimethylbenzenesulfonamide
CID 5241230
N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide
CID 693420
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide?
The IUPAC name of N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide (CID 518129) is N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide?
The InChIKey is LBDHRBVJFBGCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S2/c1-17-16-22(24-30(26,27)18-10-4-2-5-11-18)20-14-8-9-15-21(20)23(17)25-31(28,29)19-12-6-3-7-13-19/h2-16,24-25H,1H3.
What are the key properties of N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide?
N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide has a molecular weight of 452.56 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 518129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).