3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride

C14H9ClF3NO3S — CID 16788394

IUPAC3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H9ClF3NO3S/c15-23(21,22)12-6-1-3-9(7-12)13(20)19-11-5-2-4-10(8-11)14(16,17)18/h1-8H,(H,19,20)
InChIKeyBISIVRQUYRVZGL-UHFFFAOYSA-N
MW363.74 g/mol
LogP3.89
Rot. Bonds3

About 3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride

3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride (PubChem CID 16788394) has the molecular formula C14H9ClF3NO3S and a molecular weight of 363.74 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
PubChem CID16788394
Molecular FormulaC14H9ClF3NO3S
Molecular Weight363.74 g/mol
Exact Mass362.99
IUPAC Name3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H9ClF3NO3S/c15-23(21,22)12-6-1-3-9(7-12)13(20)19-11-5-2-4-10(8-11)14(16,17)18/h1-8H,(H,19,20)
InChIKeyBISIVRQUYRVZGL-UHFFFAOYSA-N
XLogP3.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.74
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-[methyl(phenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3284690
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride (CID 16788394) is 3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride is O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride?
The InChIKey is BISIVRQUYRVZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO3S/c15-23(21,22)12-6-1-3-9(7-12)13(20)19-11-5-2-4-10(8-11)14(16,17)18/h1-8H,(H,19,20).
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride?
3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride has a molecular weight of 363.74 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 16788394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).