2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C18H18Cl2N2O6S2 — CID 52909970

IUPAC2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H18Cl2N2O6S2/c19-14-6-5-13(9-15(14)20)30(26,27)22-16-3-1-2-4-17(16)28-10-18(23)21-12-7-8-29(24,25)11-12/h1-6,9,12,22H,7-8,10-11H2,(H,21,23)/t12-/m0/s1
InChIKeyDZUCUTUTQRYBRB-LBPRGKRZSA-N
MW493.39 g/mol
LogP2.48
Rot. Bonds7

About 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 52909970) has the molecular formula C18H18Cl2N2O6S2 and a molecular weight of 493.39 g/mol. Its IUPAC name is 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID52909970
Molecular FormulaC18H18Cl2N2O6S2
Molecular Weight493.39 g/mol
Exact Mass492.00
IUPAC Name2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H18Cl2N2O6S2/c19-14-6-5-13(9-15(14)20)30(26,27)22-16-3-1-2-4-17(16)28-10-18(23)21-12-7-8-29(24,25)11-12/h1-6,9,12,22H,7-8,10-11H2,(H,21,23)/t12-/m0/s1
InChIKeyDZUCUTUTQRYBRB-LBPRGKRZSA-N
XLogP2.48
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6601206
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27711021
2-(2,4-dichlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2853637
2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7949295
4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 27710577
2-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 43214296
2-(2-bromo-4-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3939341
3-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 51726457
2-(3-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4805342
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 3992284
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 41144202
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16544779

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 52909970) is 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is O=C(COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is DZUCUTUTQRYBRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18Cl2N2O6S2/c19-14-6-5-13(9-15(14)20)30(26,27)22-16-3-1-2-4-17(16)28-10-18(23)21-12-7-8-29(24,25)11-12/h1-6,9,12,22H,7-8,10-11H2,(H,21,23)/t12-/m0/s1.
What are the key properties of 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 493.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 52909970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).