N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide

C12H13ClN2O4S2 — CID 3348697

IUPACN-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCSC2=O)cc1Cl
InChIInChI=1S/C12H13ClN2O4S2/c1-7(16)14-10-3-2-8(6-9(10)13)21(18,19)15-11-4-5-20-12(11)17/h2-3,6,11,15H,4-5H2,1H3,(H,14,16)
InChIKeyPHAXACWEMUNCAX-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.61
Rot. Bonds4

About N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide

N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 3348697) has the molecular formula C12H13ClN2O4S2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID3348697
Molecular FormulaC12H13ClN2O4S2
Molecular Weight348.83 g/mol
Exact Mass348.00
IUPAC NameN-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCSC2=O)cc1Cl
InChIInChI=1S/C12H13ClN2O4S2/c1-7(16)14-10-3-2-8(6-9(10)13)21(18,19)15-11-4-5-20-12(11)17/h2-3,6,11,15H,4-5H2,1H3,(H,14,16)
InChIKeyPHAXACWEMUNCAX-UHFFFAOYSA-N
XLogP1.61
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide
CID 6927432
N-[2-chloro-4-(cyclopentylsulfamoyl)phenyl]acetamide
CID 5178972
N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide
CID 2810894
N-[2-chloro-4-(cyclopropylmethylsulfamoyl)phenyl]acetamide
CID 25038635
1-acetyl-N-[(3R)-2-oxothiolan-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 40830687
1-acetyl-N-[(3S)-2-oxothiolan-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 40830688
N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide
CID 46644365
2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide
CID 5177491
3-methyl-2-oxo-N-(2-oxothiolan-3-yl)-1,3-benzoxazole-5-sulfonamide
CID 5312165
2-oxo-N-[(3S)-2-oxothiolan-3-yl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 42558680
N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3817725
N-[2-chloro-4-[(2,5-dichlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 3751983

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide (CID 3348697) is N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2CCSC2=O)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is PHAXACWEMUNCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S2/c1-7(16)14-10-3-2-8(6-9(10)13)21(18,19)15-11-4-5-20-12(11)17/h2-3,6,11,15H,4-5H2,1H3,(H,14,16).
What are the key properties of N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide?
N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 348.83 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3348697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).