2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide

C7H6ClF3N2O2S — CID 119010128

IUPAC2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(C(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C7H6ClF3N2O2S/c8-3-1-4(7(9,10)11)6(5(12)2-3)16(13,14)15/h1-2H,12H2,(H2,13,14,15)
InChIKeyZSCWRMXQHMDUKZ-UHFFFAOYSA-N
MW274.65 g/mol
LogP1.59
Rot. Bonds1

About 2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide

2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 119010128) has the molecular formula C7H6ClF3N2O2S and a molecular weight of 274.65 g/mol. Its IUPAC name is 2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide
PubChem CID119010128
Molecular FormulaC7H6ClF3N2O2S
Molecular Weight274.65 g/mol
Exact Mass273.98
IUPAC Name2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(C(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C7H6ClF3N2O2S/c8-3-1-4(7(9,10)11)6(5(12)2-3)16(13,14)15/h1-2H,12H2,(H2,13,14,15)
InChIKeyZSCWRMXQHMDUKZ-UHFFFAOYSA-N
XLogP1.59
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.65
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-6-methylbenzenesulfonamide
CID 142791443
4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide
CID 119021771
5-chloro-2-methyl-3-(trifluoromethyl)aniline
CID 130983523
5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 131462426
2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide
CID 119003736
4-chloro-2,6-bis(trifluoromethyl)benzaldehyde
CID 118990875
2,6-dibromo-4-chlorobenzenesulfonamide
CID 130484005
2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide
CID 118998718
2-[4-amino-5-chloro-2-(trifluoromethyl)phenyl]sulfonyl-6-methylbenzenesulfonamide
CID 70564487
6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 151930753
2-iodo-4,6-bis(trifluoromethyl)benzenesulfonyl chloride
CID 134638251
2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide
CID 134623910

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide (CID 119010128) is 2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide is Nc1cc(Cl)cc(C(F)(F)F)c1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZSCWRMXQHMDUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O2S/c8-3-1-4(7(9,10)11)6(5(12)2-3)16(13,14)15/h1-2H,12H2,(H2,13,14,15).
What are the key properties of 2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide?
2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 274.65 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119010128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).