2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide

C14H12Cl2N2O3S — CID 1357141

IUPAC2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
SMILESNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12Cl2N2O3S/c15-12-7-6-10(8-13(12)16)18(9-14(17)19)22(20,21)11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,19)
InChIKeyZJERUNPVLFPHAX-UHFFFAOYSA-N
MW359.23 g/mol
LogP2.67
Rot. Bonds5

About 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide

2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide (PubChem CID 1357141) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
PubChem CID1357141
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
SMILESNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12Cl2N2O3S/c15-12-7-6-10(8-13(12)16)18(9-14(17)19)22(20,21)11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,19)
InChIKeyZJERUNPVLFPHAX-UHFFFAOYSA-N
XLogP2.67
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
CID 1372382
2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide
CID 50895400
2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide
CID 126032099
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(propan-2-ylideneamino)acetamide
CID 28588551
N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1100086
4-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzoic acid
CID 1267410
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 51345003
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879032
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 30305609
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(2,5-dimethylphenyl)acetamide
CID 2889396
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30305594

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide (CID 1357141) is 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide is NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide?
The InChIKey is ZJERUNPVLFPHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c15-12-7-6-10(8-13(12)16)18(9-14(17)19)22(20,21)11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,19).
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide?
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide has a molecular weight of 359.23 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide is sourced from PubChem (CID 1357141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).