N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide

C23H19ClN2O4S2 — CID 1265824

IUPACN-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H19ClN2O4S2/c1-16-6-8-19(24)15-23(16)26-31(27,28)21-12-9-20(10-13-21)25-32(29,30)22-11-7-17-4-2-3-5-18(17)14-22/h2-15,25-26H,1H3
InChIKeyHJHVDDJLCIDJRS-UHFFFAOYSA-N
MW487.00 g/mol
LogP5.40
Rot. Bonds6

About N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide

N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide (PubChem CID 1265824) has the molecular formula C23H19ClN2O4S2 and a molecular weight of 487.00 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
PubChem CID1265824
Molecular FormulaC23H19ClN2O4S2
Molecular Weight487.00 g/mol
Exact Mass486.05
IUPAC NameN-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H19ClN2O4S2/c1-16-6-8-19(24)15-23(16)26-31(27,28)21-12-9-20(10-13-21)25-32(29,30)22-11-7-17-4-2-3-5-18(17)14-22/h2-15,25-26H,1H3
InChIKeyHJHVDDJLCIDJRS-UHFFFAOYSA-N
XLogP5.40
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.00
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide (CID 1265824) is N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide?
The InChIKey is HJHVDDJLCIDJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4S2/c1-16-6-8-19(24)15-23(16)26-31(27,28)21-12-9-20(10-13-21)25-32(29,30)22-11-7-17-4-2-3-5-18(17)14-22/h2-15,25-26H,1H3.
What are the key properties of N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide?
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide has a molecular weight of 487.00 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 1265824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).