2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide

C14H13F3N2O4S2 — CID 562910

IUPAC2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2S(N)(=O)=O)cc1
InChIInChI=1S/C14H13F3N2O4S2/c1-9-2-5-11(6-3-9)25(22,23)19-12-8-10(14(15,16)17)4-7-13(12)24(18,20)21/h2-8,19H,1H3,(H2,18,20,21)
InChIKeyLNBYNKPUMVARRU-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.46
Rot. Bonds4

About 2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide

2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 562910) has the molecular formula C14H13F3N2O4S2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID562910
Molecular FormulaC14H13F3N2O4S2
Molecular Weight394.40 g/mol
Exact Mass394.03
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2S(N)(=O)=O)cc1
InChIInChI=1S/C14H13F3N2O4S2/c1-9-2-5-11(6-3-9)25(22,23)19-12-8-10(14(15,16)17)4-7-13(12)24(18,20)21/h2-8,19H,1H3,(H2,18,20,21)
InChIKeyLNBYNKPUMVARRU-UHFFFAOYSA-N
XLogP2.46
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide (CID 562910) is 2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LNBYNKPUMVARRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4S2/c1-9-2-5-11(6-3-9)25(22,23)19-12-8-10(14(15,16)17)4-7-13(12)24(18,20)21/h2-8,19H,1H3,(H2,18,20,21).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide?
2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 394.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 562910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).