N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide

C23H19NO3S — CID 57390827

IUPACN-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1cccc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c1
InChIInChI=1S/C23H19NO3S/c1-27-22-8-4-7-19(15-22)18-9-12-21(13-10-18)24-28(25,26)23-14-11-17-5-2-3-6-20(17)16-23/h2-16,24H,1H3
InChIKeyIZTGCWUVEIKBPB-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.32
Rot. Bonds5

About N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide

N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide (PubChem CID 57390827) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide
PubChem CID57390827
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC NameN-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1cccc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c1
InChIInChI=1S/C23H19NO3S/c1-27-22-8-4-7-19(15-22)18-9-12-21(13-10-18)24-28(25,26)23-14-11-17-5-2-3-6-20(17)16-23/h2-16,24H,1H3
InChIKeyIZTGCWUVEIKBPB-UHFFFAOYSA-N
XLogP5.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide (CID 57390827) is N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide is COc1cccc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is IZTGCWUVEIKBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c1-27-22-8-4-7-19(15-22)18-9-12-21(13-10-18)24-28(25,26)23-14-11-17-5-2-3-6-20(17)16-23/h2-16,24H,1H3.
What are the key properties of N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide?
N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 57390827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).