N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide

C18H17NO5S2 — CID 2379491

IUPACN-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H17NO5S2/c1-19(25(20,21)17-11-8-16(24-2)9-12-17)26(22,23)18-10-7-14-5-3-4-6-15(14)13-18/h3-13H,1-2H3
InChIKeyHFMOXDWJJIGJKF-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.86
Rot. Bonds5

About N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide

N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide (PubChem CID 2379491) has the molecular formula C18H17NO5S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide
PubChem CID2379491
Molecular FormulaC18H17NO5S2
Molecular Weight391.47 g/mol
Exact Mass391.05
IUPAC NameN-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H17NO5S2/c1-19(25(20,21)17-11-8-16(24-2)9-12-17)26(22,23)18-10-7-14-5-3-4-6-15(14)13-18/h3-13H,1-2H3
InChIKeyHFMOXDWJJIGJKF-UHFFFAOYSA-N
XLogP2.86
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide (CID 2379491) is N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide is COc1ccc(S(=O)(=O)N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide?
The InChIKey is HFMOXDWJJIGJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S2/c1-19(25(20,21)17-11-8-16(24-2)9-12-17)26(22,23)18-10-7-14-5-3-4-6-15(14)13-18/h3-13H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide?
N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide has a molecular weight of 391.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 2379491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).