4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide

C14H13F3N2O4S2 — CID 72724688

IUPAC4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13F3N2O4S2/c15-14(16,17)10-19(25(22,23)13-4-2-1-3-5-13)11-6-8-12(9-7-11)24(18,20)21/h1-9H,10H2,(H2,18,20,21)
InChIKeyMHENAGZWIDWQRK-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.09
Rot. Bonds5

About 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide

4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide (PubChem CID 72724688) has the molecular formula C14H13F3N2O4S2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
PubChem CID72724688
Molecular FormulaC14H13F3N2O4S2
Molecular Weight394.40 g/mol
Exact Mass394.03
IUPAC Name4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13F3N2O4S2/c15-14(16,17)10-19(25(22,23)13-4-2-1-3-5-13)11-6-8-12(9-7-11)24(18,20)21/h1-9H,10H2,(H2,18,20,21)
InChIKeyMHENAGZWIDWQRK-UHFFFAOYSA-N
XLogP2.09
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
The IUPAC name of 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide (CID 72724688) is 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
The canonical SMILES for 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
The InChIKey is MHENAGZWIDWQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4S2/c15-14(16,17)10-19(25(22,23)13-4-2-1-3-5-13)11-6-8-12(9-7-11)24(18,20)21/h1-9H,10H2,(H2,18,20,21).
What are the key properties of 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide has a molecular weight of 394.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide is sourced from PubChem (CID 72724688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).