2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide

C20H15Cl2FN2O3S — CID 2282100

IUPAC2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C20H15Cl2FN2O3S/c21-15-9-6-12-18(20(15)22)25(29(27,28)14-7-2-1-3-8-14)13-19(26)24-17-11-5-4-10-16(17)23/h1-12H,13H2,(H,24,26)
InChIKeyKVHYDPYTYZGDGT-UHFFFAOYSA-N
MW453.32 g/mol
LogP4.97
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide (PubChem CID 2282100) has the molecular formula C20H15Cl2FN2O3S and a molecular weight of 453.32 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide
PubChem CID2282100
Molecular FormulaC20H15Cl2FN2O3S
Molecular Weight453.32 g/mol
Exact Mass452.02
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C20H15Cl2FN2O3S/c21-15-9-6-12-18(20(15)22)25(29(27,28)14-7-2-1-3-8-14)13-19(26)24-17-11-5-4-10-16(17)23/h1-12H,13H2,(H,24,26)
InChIKeyKVHYDPYTYZGDGT-UHFFFAOYSA-N
XLogP4.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 21372093
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 1335821
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide
CID 21372817
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
CID 555613
2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]amino]-N-benzylbenzamide
CID 126033575
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2279103
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide
CID 1298612
2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 126128084
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide
CID 1365040
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-pyridin-3-ylacetamide
CID 51345036
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-ethylphenyl)acetamide
CID 1095217
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-ethylphenyl)acetamide
CID 1098076

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide (CID 2282100) is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide is O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccccc1F.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide?
The InChIKey is KVHYDPYTYZGDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O3S/c21-15-9-6-12-18(20(15)22)25(29(27,28)14-7-2-1-3-8-14)13-19(26)24-17-11-5-4-10-16(17)23/h1-12H,13H2,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide?
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide has a molecular weight of 453.32 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2282100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).