N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide

C18H14ClNO3S — CID 177371935

IUPACN-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO3S/c19-16-7-3-6-15(10-16)18(21)12-20-24(22,23)17-9-8-13-4-1-2-5-14(13)11-17/h1-11,20H,12H2
InChIKeyKWSDAGGNWNIATM-UHFFFAOYSA-N
MW359.83 g/mol
LogP3.65
Rot. Bonds5

About N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide

N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide (PubChem CID 177371935) has the molecular formula C18H14ClNO3S and a molecular weight of 359.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
PubChem CID177371935
Molecular FormulaC18H14ClNO3S
Molecular Weight359.83 g/mol
Exact Mass359.04
IUPAC NameN-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO3S/c19-16-7-3-6-15(10-16)18(21)12-20-24(22,23)17-9-8-13-4-1-2-5-14(13)11-17/h1-11,20H,12H2
InChIKeyKWSDAGGNWNIATM-UHFFFAOYSA-N
XLogP3.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N'-(2-naphthylsulfonyl)benzohydrazide
CID 1366624
N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
CID 90656647
N-(2-oxo-2-phenylethyl)naphthalene-2-sulfonamide
CID 24215032
N-[2-(4-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
CID 84549277
N-[2-(2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
CID 167569419
N-[2-(3-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
CID 177371934
N-[2-(3-chloro-2-fluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
CID 177371939
N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
CID 177371940
N-[2-oxo-2-(4-phenylphenyl)ethyl]naphthalene-2-sulfonamide
CID 177371941
4-chloro-N-(2-oxo-2-phenylethyl)benzenesulfonamide
CID 16726071
N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]naphthalene-2-sulfonamide
CID 146828295
N-[2-(3-chloro-2-fluoro-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide
CID 160080648

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide (CID 177371935) is N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide is O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
The InChIKey is KWSDAGGNWNIATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3S/c19-16-7-3-6-15(10-16)18(21)12-20-24(22,23)17-9-8-13-4-1-2-5-14(13)11-17/h1-11,20H,12H2.
What are the key properties of N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide has a molecular weight of 359.83 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 177371935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).