2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide

C13H10Cl2N2O2S2 — CID 29302580

IUPAC2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide
SMILESNC(=S)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N2O2S2/c14-8-5-6-11(10(15)7-8)17-21(18,19)12-4-2-1-3-9(12)13(16)20/h1-7,17H,(H2,16,20)
InChIKeyKVMMAGZHWLOKCF-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.43
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide

2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide (PubChem CID 29302580) has the molecular formula C13H10Cl2N2O2S2 and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide
PubChem CID29302580
Molecular FormulaC13H10Cl2N2O2S2
Molecular Weight361.28 g/mol
Exact Mass359.96
IUPAC Name2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide
SMILESNC(=S)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N2O2S2/c14-8-5-6-11(10(15)7-8)17-21(18,19)12-4-2-1-3-9(12)13(16)20/h1-7,17H,(H2,16,20)
InChIKeyKVMMAGZHWLOKCF-UHFFFAOYSA-N
XLogP3.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
4-[(2-bromophenyl)sulfonylamino]-3-chlorobenzenecarbothioamide
CID 107808728
2-[(2-bromo-4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 29296828
N-(2,4-dichlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 18289032
2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide
CID 43236177
2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
CID 60986317
2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 4793321
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
5-bromo-2-[(2-fluorophenyl)sulfonylamino]benzenecarbothioamide
CID 82694314
2-(pyridin-4-ylsulfamoyl)benzenecarbothioamide
CID 24710907
3-[(4-chloro-2-iodophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107626085
2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 43256363

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide (CID 29302580) is 2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide is NC(=S)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide?
The InChIKey is KVMMAGZHWLOKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2S2/c14-8-5-6-11(10(15)7-8)17-21(18,19)12-4-2-1-3-9(12)13(16)20/h1-7,17H,(H2,16,20).
What are the key properties of 2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide?
2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide has a molecular weight of 361.28 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide is sourced from PubChem (CID 29302580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).