N-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide

C13H10Cl2FNO2S2 — CID 151441477

IUPACN-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(SC(F)(Cl)Cl)c1ccccc1
InChIInChI=1S/C13H10Cl2FNO2S2/c14-13(15,16)20-17(11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H
InChIKeyPEPPZNSRNBPBCX-UHFFFAOYSA-N
MW366.27 g/mol
LogP4.59
Rot. Bonds5

About N-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide

N-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide (PubChem CID 151441477) has the molecular formula C13H10Cl2FNO2S2 and a molecular weight of 366.27 g/mol. Its IUPAC name is N-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide
PubChem CID151441477
Molecular FormulaC13H10Cl2FNO2S2
Molecular Weight366.27 g/mol
Exact Mass364.95
IUPAC NameN-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(SC(F)(Cl)Cl)c1ccccc1
InChIInChI=1S/C13H10Cl2FNO2S2/c14-13(15,16)20-17(11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H
InChIKeyPEPPZNSRNBPBCX-UHFFFAOYSA-N
XLogP4.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-(1,1,2-trichloropropylsulfanyl)benzenesulfonamide
CID 126505274
N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline;N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline
CID 87802579
N-[dichloro(fluoro)methyl]sulfanyl-3-(dimethylamino)-N-phenylprop-2-ene-1-sulfonamide
CID 174724382
1-[[dichloro(fluoro)methyl]sulfanyl-sulfamoylamino]-4-methylbenzene
CID 57246486
[[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene
CID 19024292
[[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene
CID 175187666
4-[phenyl(phenylsulfanyl)sulfamoyl]benzoic acid
CID 87453622
N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide
CID 143242702
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
N-[2,2-bis(benzenesulfonyl)-2-fluoroethyl]-N-methylaniline
CID 102494666
N-methoxy-N-(trifluoromethyl)benzenesulfonamide
CID 13351208
N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
CID 967232

Frequently Asked Questions

What is the IUPAC name of N-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide (CID 151441477) is N-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(SC(F)(Cl)Cl)c1ccccc1.
What is the InChIKey of N-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide?
The InChIKey is PEPPZNSRNBPBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO2S2/c14-13(15,16)20-17(11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H.
What are the key properties of N-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide?
N-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide has a molecular weight of 366.27 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dichloro(fluoro)methyl]sulfanyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 151441477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).