4-trifluoromethanesulfonylaniline

4-trifluoromethanesulfonylaniline

CAS: 473-27-8

Formula: C7H6F3NO2S

SMILES: NC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F

IUPAC: 4-trifluoromethanesulfonylaniline

InChI: InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4H,11H2

Composition: C (37.34%), H (2.69%), F (25.31%), N (6.22%), O (14.21%), S (14.24%)

Molar Mass: 225.19

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.0071341
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GNVFCXUZQGCXPB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.59
Topological Polar Surface Area	60.16
Polarizability	17.03
Ring Count	1
Rotatable Bond Count	2

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