3-chloro-4-naphthalen-2-ylsulfonylbenzamide

C17H12ClNO3S — CID 22148850

IUPAC3-chloro-4-naphthalen-2-ylsulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C17H12ClNO3S/c18-15-10-13(17(19)20)6-8-16(15)23(21,22)14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H2,19,20)
InChIKeyOLMFLEBNFWYHLN-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.42
Rot. Bonds3

About 3-chloro-4-naphthalen-2-ylsulfonylbenzamide

3-chloro-4-naphthalen-2-ylsulfonylbenzamide (PubChem CID 22148850) has the molecular formula C17H12ClNO3S and a molecular weight of 345.81 g/mol. Its IUPAC name is 3-chloro-4-naphthalen-2-ylsulfonylbenzamide.

Molecular Properties

Compound Name3-chloro-4-naphthalen-2-ylsulfonylbenzamide
PubChem CID22148850
Molecular FormulaC17H12ClNO3S
Molecular Weight345.81 g/mol
Exact Mass345.02
IUPAC Name3-chloro-4-naphthalen-2-ylsulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C17H12ClNO3S/c18-15-10-13(17(19)20)6-8-16(15)23(21,22)14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H2,19,20)
InChIKeyOLMFLEBNFWYHLN-UHFFFAOYSA-N
XLogP3.42
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzamide;naphthalene-2-sulfonamide
CID 160825471
3-chloro-4-(trifluoromethylsulfonyl)benzamide
CID 57432721
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576
tetracene-2-carboxamide;hydrobromide
CID 22400124
6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide
CID 23515225
4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 4532782
4-[[(2R)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]benzamide
CID 40645986
3-chloro-4-iodobenzamide
CID 94675118
naphthalene-2-sulfonic acid
CID 8420
2-methylaniline;naphthalene-2-carboxamide
CID 67824326
CID 88530425
CID 88530425

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-naphthalen-2-ylsulfonylbenzamide?
The IUPAC name of 3-chloro-4-naphthalen-2-ylsulfonylbenzamide (CID 22148850) is 3-chloro-4-naphthalen-2-ylsulfonylbenzamide.
What is the SMILES notation for 3-chloro-4-naphthalen-2-ylsulfonylbenzamide?
The canonical SMILES for 3-chloro-4-naphthalen-2-ylsulfonylbenzamide is NC(=O)c1ccc(S(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-naphthalen-2-ylsulfonylbenzamide?
The InChIKey is OLMFLEBNFWYHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3S/c18-15-10-13(17(19)20)6-8-16(15)23(21,22)14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H2,19,20).
What are the key properties of 3-chloro-4-naphthalen-2-ylsulfonylbenzamide?
3-chloro-4-naphthalen-2-ylsulfonylbenzamide has a molecular weight of 345.81 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-naphthalen-2-ylsulfonylbenzamide is sourced from PubChem (CID 22148850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).