N-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide

C18H16ClNO2S — CID 4690915

IUPACN-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H16ClNO2S/c19-17-8-5-14(6-9-17)11-12-20-23(21,22)18-10-7-15-3-1-2-4-16(15)13-18/h1-10,13,20H,11-12H2
InChIKeyWHKFHPQCPXJVKS-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.01
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide

N-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide (PubChem CID 4690915) has the molecular formula C18H16ClNO2S and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide
PubChem CID4690915
Molecular FormulaC18H16ClNO2S
Molecular Weight345.85 g/mol
Exact Mass345.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H16ClNO2S/c19-17-8-5-14(6-9-17)11-12-20-23(21,22)18-10-7-15-3-1-2-4-16(15)13-18/h1-10,13,20H,11-12H2
InChIKeyWHKFHPQCPXJVKS-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide (CID 4690915) is N-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide is O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide?
The InChIKey is WHKFHPQCPXJVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2S/c19-17-8-5-14(6-9-17)11-12-20-23(21,22)18-10-7-15-3-1-2-4-16(15)13-18/h1-10,13,20H,11-12H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide?
N-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 345.85 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 4690915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).