N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide

C18H14ClNO3S — CID 22888906

IUPACN-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide
SMILESCC(=O)c1c(Cl)cccc1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C18H14ClNO3S/c1-12(21)18-15(19)9-5-10-16(18)20-24(22,23)17-11-4-7-13-6-2-3-8-14(13)17/h2-11,20H,1H3
InChIKeyJGIKUWFIMGQLCT-UHFFFAOYSA-N
MW359.83 g/mol
LogP4.50
Rot. Bonds4

About N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide

N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide (PubChem CID 22888906) has the molecular formula C18H14ClNO3S and a molecular weight of 359.83 g/mol. Its IUPAC name is N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide
PubChem CID22888906
Molecular FormulaC18H14ClNO3S
Molecular Weight359.83 g/mol
Exact Mass359.04
IUPAC NameN-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide
SMILESCC(=O)c1c(Cl)cccc1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C18H14ClNO3S/c1-12(21)18-15(19)9-5-10-16(18)20-24(22,23)17-11-4-7-13-6-2-3-8-14(13)17/h2-11,20H,1H3
InChIKeyJGIKUWFIMGQLCT-UHFFFAOYSA-N
XLogP4.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-[(ethyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]ethanone;methane
CID 160769033
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CID 68865000
N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
CID 139947697
N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide
CID 87538260
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
2-[2-[2-(naphthalen-1-ylsulfonylamino)phenyl]ethyl]benzoic acid
CID 68691994
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CID 22492487
N-phenylnaphthalene-1-sulfonamide
CID 3816137
2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
CID 70133318
5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide
CID 21133017
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CID 10501408
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CID 59473753

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide (CID 22888906) is N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide is CC(=O)c1c(Cl)cccc1NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide?
The InChIKey is JGIKUWFIMGQLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3S/c1-12(21)18-15(19)9-5-10-16(18)20-24(22,23)17-11-4-7-13-6-2-3-8-14(13)17/h2-11,20H,1H3.
What are the key properties of N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide?
N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide has a molecular weight of 359.83 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 22888906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).