4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

C17H16Cl2N2O5S2 — CID 27710577

IUPAC4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N2O5S2/c18-15-6-5-14(9-16(15)19)28(25,26)21-12-3-1-11(2-4-12)17(22)20-13-7-8-27(23,24)10-13/h1-6,9,13,21H,7-8,10H2,(H,20,22)/t13-/m1/s1
InChIKeyAZDUHTWRIHCHCL-CYBMUJFWSA-N
MW463.36 g/mol
LogP2.71
Rot. Bonds5

About 4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 27710577) has the molecular formula C17H16Cl2N2O5S2 and a molecular weight of 463.36 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID27710577
Molecular FormulaC17H16Cl2N2O5S2
Molecular Weight463.36 g/mol
Exact Mass461.99
IUPAC Name4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N2O5S2/c18-15-6-5-14(9-16(15)19)28(25,26)21-12-3-1-11(2-4-12)17(22)20-13-7-8-27(23,24)10-13/h1-6,9,13,21H,7-8,10H2,(H,20,22)/t13-/m1/s1
InChIKeyAZDUHTWRIHCHCL-CYBMUJFWSA-N
XLogP2.71
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27711021
4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109058398
N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109059272
2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 52909970
4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 39829528
4-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 18279871
4-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 18154799
3-chloro-N-(1,1-dioxothiolan-3-yl)-4-nitrobenzamide
CID 82781177
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7083020
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 55535479

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of 4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (CID 27710577) is 4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for 4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is AZDUHTWRIHCHCL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5S2/c18-15-6-5-14(9-16(15)19)28(25,26)21-12-3-1-11(2-4-12)17(22)20-13-7-8-27(23,24)10-13/h1-6,9,13,21H,7-8,10H2,(H,20,22)/t13-/m1/s1.
What are the key properties of 4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 463.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 27710577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).