1-(4-bromophenyl)-N-ethylmethanesulfonamide

1-(4-bromophenyl)-N-ethylmethanesulfonamide

CAS: 223555-84-8

Formula: C9H12BrNO2S

SMILES: CCNS(=O)(=O)CC1=CC=C(Br)C=C1

IUPAC: 1-(4-bromophenyl)-N-ethylmethanesulfonamide

InChI: InChI=1S/C9H12BrNO2S/c1-2-11-14(12,13)7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3

Composition: C (38.86%), H (4.35%), Br (28.73%), N (5.04%), O (11.50%), S (11.53%)

Molar Mass: 278.16

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	276.977213
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XPMHSQKOOLOJNQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.07
Topological Polar Surface Area	46.17
Polarizability	24.03
Ring Count	1
Rotatable Bond Count	3

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