5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide

C15H16ClFN2O3S — CID 113092578

IUPAC5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)ccc1N(C)C
InChIInChI=1S/C15H16ClFN2O3S/c1-19(2)13-6-5-11(17)9-12(13)18-23(20,21)15-8-10(16)4-7-14(15)22-3/h4-9,18H,1-3H3
InChIKeyVDBVDENPXDKHMG-UHFFFAOYSA-N
MW358.82 g/mol
LogP3.35
Rot. Bonds5

About 5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide

5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide (PubChem CID 113092578) has the molecular formula C15H16ClFN2O3S and a molecular weight of 358.82 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide
PubChem CID113092578
Molecular FormulaC15H16ClFN2O3S
Molecular Weight358.82 g/mol
Exact Mass358.06
IUPAC Name5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)ccc1N(C)C
InChIInChI=1S/C15H16ClFN2O3S/c1-19(2)13-6-5-11(17)9-12(13)18-23(20,21)15-8-10(16)4-7-14(15)22-3/h4-9,18H,1-3H3
InChIKeyVDBVDENPXDKHMG-UHFFFAOYSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide
CID 113092913
N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113092556
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide
CID 113092579
N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185
N-(2,3-dichlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 1256564
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113092544
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide (CID 113092578) is 5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)ccc1N(C)C.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide?
The InChIKey is VDBVDENPXDKHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O3S/c1-19(2)13-6-5-11(17)9-12(13)18-23(20,21)15-8-10(16)4-7-14(15)22-3/h4-9,18H,1-3H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide has a molecular weight of 358.82 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 113092578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).