N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide

C20H14ClNO2S — CID 3457821

IUPACN-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C20H14ClNO2S/c21-19-11-12-20(18-8-4-3-7-17(18)19)22-25(23,24)16-10-9-14-5-1-2-6-15(14)13-16/h1-13,22H
InChIKeyZLTXQQYCHNUGJZ-UHFFFAOYSA-N
MW367.86 g/mol
LogP5.45
Rot. Bonds3

About N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide

N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide (PubChem CID 3457821) has the molecular formula C20H14ClNO2S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
PubChem CID3457821
Molecular FormulaC20H14ClNO2S
Molecular Weight367.86 g/mol
Exact Mass367.04
IUPAC NameN-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C20H14ClNO2S/c21-19-11-12-20(18-8-4-3-7-17(18)19)22-25(23,24)16-10-9-14-5-1-2-6-15(14)13-16/h1-13,22H
InChIKeyZLTXQQYCHNUGJZ-UHFFFAOYSA-N
XLogP5.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide (CID 3457821) is N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(Cl)c2ccccc12)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide?
The InChIKey is ZLTXQQYCHNUGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO2S/c21-19-11-12-20(18-8-4-3-7-17(18)19)22-25(23,24)16-10-9-14-5-1-2-6-15(14)13-16/h1-13,22H.
What are the key properties of N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide?
N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide has a molecular weight of 367.86 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 3457821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).