4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride

C7H5ClF3NO4S2 — CID 154168483

IUPAC4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Cl)c(C(F)(F)F)c1
InChIInChI=1S/C7H5ClF3NO4S2/c8-17(13,14)6-2-1-4(18(12,15)16)3-5(6)7(9,10)11/h1-3H,(H2,12,15,16)
InChIKeyUVOIBWUQZPLQQF-UHFFFAOYSA-N
MW323.70 g/mol
LogP1.28
Rot. Bonds2

About 4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride

4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 154168483) has the molecular formula C7H5ClF3NO4S2 and a molecular weight of 323.70 g/mol. Its IUPAC name is 4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID154168483
Molecular FormulaC7H5ClF3NO4S2
Molecular Weight323.70 g/mol
Exact Mass322.93
IUPAC Name4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Cl)c(C(F)(F)F)c1
InChIInChI=1S/C7H5ClF3NO4S2/c8-17(13,14)6-2-1-4(18(12,15)16)3-5(6)7(9,10)11/h1-3H,(H2,12,15,16)
InChIKeyUVOIBWUQZPLQQF-UHFFFAOYSA-N
XLogP1.28
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.70
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(trifluoromethyl)benzene-1,3-disulfonamide
CID 154218249
3-[4-amino-2-(trifluoromethyl)phenyl]sulfonyl-4-methylbenzenesulfonamide
CID 70564158
4-amino-2-(trifluoromethyl)benzenesulfonamide
CID 10610060
2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride
CID 164927394
2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride
CID 169448398
4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
CID 118840367
5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride
CID 25189329
4-[methyl(2-methylbutyl)amino]-3-(trifluoromethyl)benzenesulfonamide
CID 133321695
4-[4-[4-amino-3-(trifluoromethyl)phenyl]sulfonyl-3-(trifluoromethyl)phenyl]sulfonyl-3-(trifluoromethyl)aniline
CID 148946042
6-(trifluoromethyl)pyridine-3-sulfonamide
CID 59268886
4-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-(trifluoromethyl)benzenesulfonamide
CID 133316807
2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline
CID 165351769

Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride (CID 154168483) is 4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride is NS(=O)(=O)c1ccc(S(=O)(=O)Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is UVOIBWUQZPLQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO4S2/c8-17(13,14)6-2-1-4(18(12,15)16)3-5(6)7(9,10)11/h1-3H,(H2,12,15,16).
What are the key properties of 4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride?
4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 323.70 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 154168483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).